ChemSpider 2D Image | 1-[6-(2-Chlorophenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethione | C28H26ClN5O2S3

1-[6-(2-Chlorophenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethione

  • Molecular FormulaC28H26ClN5O2S3
  • Average mass596.186 Da
  • Monoisotopic mass595.093689 Da
  • ChemSpider ID102930

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[6-(2-Chlorophenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethione [ACD/IUPAC Name]
1-[6-(2-Chlorophényl)-1-méthyl-7,10-dihydro-4H-pyrido[4',3':4,5]thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-9(8H)-yl]-2-[(3,4-diméthoxyphényl)sulfanyl]éthanethione [French] [ACD/IUPAC Name]
1-[6-(2-Chlorphenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethanthion [German] [ACD/IUPAC Name]
Ethanethione, 1-[6-(2-chlorophenyl)-7,10-dihydro-1-methyl-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl]-2-[(3,4-dimethoxyphenyl)thio]- [ACD/Index Name]
1-[9-(2-chlorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanethione
128672-07-1 [RN]
4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(2-((3,4-dimethoxyphenyl)thio)-1-thioxoethyl)-7,8,9,10-tetrahydro-1-methyl-
9-(2-chlorophenyl)-14-{2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethioyl}-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene
9-(2-chlorophenyl)-14-{2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethioyl}-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene
BN50739
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BN 50739 [DBID]
BN-50739 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 787.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.8±35.7 °C
Index of Refraction: 1.740
Molar Refractivity: 163.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3067.10
ACD/KOC (pH 5.5): 10894.35
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3071.84
ACD/KOC (pH 7.4): 10911.20
Polar Surface Area: 150 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 404.6±7.0 cm3

Click to predict properties on the Chemicalize site


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