ChemSpider 2D Image | (4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-Thiazol-2-Yl}carbamoyl)amino]-3-Tert-Butyl-1h-Pyrazol-1-Yl}phenyl)acetic Acid | C28H31N5O4S

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

  • Molecular FormulaC28H31N5O4S
  • Average mass533.642 Da
  • Monoisotopic mass533.209656 Da
  • ChemSpider ID26329449

More details:

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

(4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenyl)acetic acid [ACD/IUPAC Name]
(4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenyl)essigsäure [German] [ACD/IUPAC Name]
(4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-Thiazol-2-Yl}carbamoyl)amino]-3-Tert-Butyl-1h-Pyrazol-1-Yl}phenyl)acetic Acid
Acide (4-{5-[({4-[2-(benzyloxy)éthyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-(2-méthyl-2-propanyl)-1H-pyrazol-1-yl}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[3-(1,1-dimethylethyl)-5-[[[[4-[2-(phenylmethoxy)ethyl]-2-thiazolyl]amino]carbonyl]amino]-1H-pyrazol-1-yl]- [ACD/Index Name]
Z86

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 137.09
ACD/KOC (pH 5.5): 406.26
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 413.8±7.0 cm3

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