ChemSpider 2D Image | 2,2'-{[11-(2-Methyl-2-propanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}diacetic acid | C20H22N6O4S3

2,2'-{[11-(2-Methyl-2-propanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}diacetic acid

  • Molecular FormulaC20H22N6O4S3
  • Average mass506.621 Da
  • Monoisotopic mass506.086456 Da
  • ChemSpider ID2924130

More details:

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

2,2'-{[11-(2-Methyl-2-propanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidin-3,7-diyl]disulfandiyl}diessigsäure [German] [ACD/IUPAC Name]
2,2'-{[11-(2-Methyl-2-propanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}diacetic acid [ACD/IUPAC Name]
Acetic acid, 2,2'-[[11-(1,1-dimethylethyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]-1,2,4-triazolo[4,3-c]pyrimidine-3,7-diyl]bis(thio)]bis- [ACD/Index Name]
Acide 2,2'-{[11-(2-méthyl-2-propanyl)-10,11,12,13-tétrahydro[1]benzothiéno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}diacétique [French] [ACD/IUPAC Name]
(9-tert-Butyl-1-carboxymethylsulfanyl-7,8,9,10-tetrahydro-11-thia-2,3,3b,5,6,11b-hexaaza-benzo[a]trinden-4-ylsulfanyl)-acetic acid
2,2'-[(11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]diacetic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.855
Molar Refractivity: 128.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 287.5±7.0 cm3

Click to predict properties on the Chemicalize site


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