ChemSpider 2D Image | 4-{3-[(4-Chlorophenyl)amino]-3-oxopropyl}-3-{[(5-isopropyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}benzoic acid | C26H27ClN4O4S

4-{3-[(4-Chlorophenyl)amino]-3-oxopropyl}-3-{[(5-isopropyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}benzoic acid

  • Molecular FormulaC26H27ClN4O4S
  • Average mass527.035 Da
  • Monoisotopic mass526.144165 Da
  • ChemSpider ID28485535

More details:






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

4-{3-[(4-Chlorophenyl)amino]-3-Oxopropyl}-3-({[5-(Propan-2-Yl)-4,5,6,7-Tetrahydro[1,3]thiazolo[5,4-C]pyridin-2-Yl]carbonyl}amino)benzoic Acid
4-{3-[(4-Chlorophenyl)amino]-3-oxopropyl}-3-{[(5-isopropyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}benzoic acid [ACD/IUPAC Name]
4-{3-[(4-Chlorphenyl)amino]-3-oxopropyl}-3-{[(5-isopropyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
Acide 4-{3-[(4-chlorophényl)amino]-3-oxopropyl}-3-{[(5-isopropyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[(4-chlorophenyl)amino]-3-oxopropyl]-3-[[[4,5,6,7-tetrahydro-5-(1-methylethyl)thiazolo[5,4-c]pyridin-2-yl]carbonyl]amino]- [ACD/Index Name]
D1Q

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 10.86
ACD/KOC (pH 5.5): 42.28
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 13.49
Polar Surface Area: 140 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 375.8±3.0 cm3

Click to predict properties on the Chemicalize site






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