ChemSpider 2D Image | (3-{5-[(1-Benzothiophen-2-ylcarbonyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenoxy)acetic acid | C24H23N3O4S

(3-{5-[(1-Benzothiophen-2-ylcarbonyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenoxy)acetic acid

  • Molecular FormulaC24H23N3O4S
  • Average mass449.522 Da
  • Monoisotopic mass449.140930 Da
  • ChemSpider ID24808722

More details:

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

(3-{5-[(1-Benzothiophen-2-ylcarbonyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenoxy)acetic acid [ACD/IUPAC Name]
(3-{5-[(1-Benzothiophen-2-ylcarbonyl)amino]-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[3-[5-[(benzo[b]thien-2-ylcarbonyl)amino]-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]phenoxy]- [ACD/Index Name]
Acide (3-{5-[(1-benzothiophén-2-ylcarbonyl)amino]-3-(2-méthyl-2-propanyl)-1H-pyrazol-1-yl}phénoxy)acétique [French] [ACD/IUPAC Name]
Kinome_2178

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 27.38
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 122 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 340.4±7.0 cm3

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