Found 25 results

Search term: MF = 'C_{21}H_{17}Cl_{3}N_{4}OS'
ChemSpider 2D Image | 1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone | C21H17Cl3N4OS

1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

  • Molecular FormulaC21H17Cl3N4OS
  • Average mass479.810 Da
  • Monoisotopic mass478.018860 Da
  • ChemSpider ID62670410

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(7S)-2-[(2-Chlorbenzyl)sulfanyl]-7-(3,4-dichlorphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanon [German] [ACD/IUPAC Name]
1-[(7S)-2-[(2-Chlorbenzyl)sulfanyl]-7-(3,4-dichlorphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanon [German] [ACD/IUPAC Name]
1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone [ACD/IUPAC Name]
1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophényl)-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]éthanone [French] [ACD/IUPAC Name]
1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone [ACD/IUPAC Name]
1-[(7S)-2-[(2-Chlorobenzyl)sulfanyl]-7-(3,4-dichlorophényl)-5-méthyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(7S)-2-[[(2-chlorophenyl)methyl]thio]-7-(3,4-dichlorophenyl)-1,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]
Ethanone, 1-[(7S)-2-[[(2-chlorophenyl)methyl]thio]-7-(3,4-dichlorophenyl)-4,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.6±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7280.81
ACD/KOC (pH 5.5): 20213.20
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7310.27
ACD/KOC (pH 7.4): 20294.96
Polar Surface Area: 82 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 319.3±7.0 cm3

Click to predict properties on the Chemicalize site


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