ChemSpider 2D Image | 1-(2,3-Dichlorophenyl)-3-[1-(4-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea | C26H29Cl2N5O3

1-(2,3-Dichlorophenyl)-3-[1-(4-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID9809856
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-(2,3-Dichlorophenyl)-3-[1-(4-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-(2,3-Dichlorophényl)-3-[1-(4-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoéthyl}phényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
1-(2,3-Dichlorphenyl)-3-[1-(4-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-(2,3-dichlorophenyl)-N'-[3-(1,1-dimethylethyl)-1-[4-[2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl]phenyl]-1H-pyrazol-5-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.4±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 141.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2471.12
ACD/KOC (pH 5.5): 9336.99
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2471.23
ACD/KOC (pH 7.4): 9337.41
Polar Surface Area: 99 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 385.5±7.0 cm3

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