ChemSpider 2D Image | (4-{3-Tert-Butyl-5-[(1,3-Thiazol-2-Ylcarbamoyl)amino]-1h-Pyrazol-1-Yl}phenyl)acetic Acid | C19H21N5O3S

(4-{3-Tert-Butyl-5-[(1,3-Thiazol-2-Ylcarbamoyl)amino]-1h-Pyrazol-1-Yl}phenyl)acetic Acid

  • Molecular FormulaC19H21N5O3S
  • Average mass399.467 Da
  • Monoisotopic mass399.136505 Da
  • ChemSpider ID26336355

More details:

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

(4-{3-(2-Methyl-2-propanyl)-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid [ACD/IUPAC Name]
(4-{3-(2-Methyl-2-propanyl)-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)essigsäure [German] [ACD/IUPAC Name]
(4-{3-Tert-Butyl-5-[(1,3-Thiazol-2-Ylcarbamoyl)amino]-1h-Pyrazol-1-Yl}phenyl)acetic Acid
Acide (4-{3-(2-méthyl-2-propanyl)-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[3-(1,1-dimethylethyl)-5-[[(2-thiazolylamino)carbonyl]amino]-1H-pyrazol-1-yl]- [ACD/Index Name]
Z83

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: 1.671
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 4.85
ACD/KOC (pH 5.5): 37.67
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 291.5±7.0 cm3

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