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}-5-methoxybenzoic acid | C27H29ClN4O5S

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}-5-methoxybenzoic acid

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID28482872

More details:

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

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}-5-methoxybenzoic 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}-5-methoxybenzoesäure [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}-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[(4-chlorophenyl)amino]-3-oxopropyl]-3-methoxy-5-[[[4,5,6,7-tetrahydro-5-(1-methylethyl)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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 15.59
ACD/KOC (pH 5.5): 53.51
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 17.25
Polar Surface Area: 149 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

Click to predict properties on the Chemicalize site


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