ChemSpider 2D Image | (7-{[2-(2-{[(3-Chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid | C19H17ClN8O3S

(7-{[2-(2-{[(3-Chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid

  • Molecular FormulaC19H17ClN8O3S
  • Average mass472.908 Da
  • Monoisotopic mass472.083282 Da
  • ChemSpider ID25058894

More details:

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

(7-{[2-(2-{[(3-Chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid [ACD/IUPAC Name]
(7-{[2-(2-{[(3-Chlorphenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazolo[4,3-d]pyrimidine-1-acetic acid, 7-[[2-[2-[[[(3-chlorophenyl)amino]carbonyl]amino]-5-thiazolyl]ethyl]amino]- [ACD/Index Name]
Acide (7-{[2-(2-{[(3-chlorophényl)carbamoyl]amino}-1,3-thiazol-5-yl)éthyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acétique [French] [ACD/IUPAC Name]
AK4

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: 1.791
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 75.8±7.0 dyne/cm
Molar Volume: 283.5±7.0 cm3

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