ChemSpider 2D Image | 4-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-3-({[5-(methylsulfonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid | C21H19ClN4O6S3

4-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-3-({[5-(methylsulfonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid

  • Molecular FormulaC21H19ClN4O6S3
  • Average mass555.047 Da
  • Monoisotopic mass554.015503 Da
  • ChemSpider ID28482572

More details:

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

4-({[(5-Chlor-2-thienyl)carbonyl]amino}methyl)-3-({[5-(methylsulfonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-3-({[5-(methylsulfonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-({[(5-chloro-2-thiényl)carbonyl]amino}méthyl)-3-({[5-(méthylsulfonyl)-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-3-[[[4,5,6,7-tetrahydro-5-(methylsulfonyl)thiazolo[5,4-c]pyridin-2-yl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 38.11
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 211 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

Click to predict properties on the Chemicalize site


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