ChemSpider 2D Image | 4-[(1-{7-[(3,4-Dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}-3-pyrrolidinyl)carbamoyl]benzoic acid | C25H24N6O5S

4-[(1-{7-[(3,4-Dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}-3-pyrrolidinyl)carbamoyl]benzoic acid

  • Molecular FormulaC25H24N6O5S
  • Average mass520.560 Da
  • Monoisotopic mass520.152893 Da
  • ChemSpider ID28667680

More details:

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

4-[(1-{7-[(3,4-Dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}-3-pyrrolidinyl)carbamoyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(1-{7-[(3,4-Dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}-3-pyrrolidinyl)carbamoyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(1-{7-[(3,4-diméthoxyphényl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}-3-pyrrolidinyl)carbamoyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[1-[7-[(3,4-dimethoxyphenyl)amino]thiazolo[5,4-d]pyrimidin-5-yl]-3-pyrrolidinyl]amino]carbonyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

Click to predict properties on the Chemicalize site


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