ChemSpider 2D Image | N-(4-{(1S)-1-[3-(2,5-Dichlorophenyl)-5-(6-methoxy-2-naphthyl)-1H-pyrazol-1-yl]ethyl}benzoyl)-beta-alanine | C32H27Cl2N3O4

N-(4-{(1S)-1-[3-(2,5-Dichlorophenyl)-5-(6-methoxy-2-naphthyl)-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alanine

  • Molecular FormulaC32H27Cl2N3O4
  • Average mass588.481 Da
  • Monoisotopic mass587.137878 Da
  • ChemSpider ID28669837

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-(4-{(1S)-1-[3-(2,5-Dichlorophenyl)-5-(6-methoxy-2-naphthyl)-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alanine [ACD/IUPAC Name]
N-(4-{(1S)-1-[3-(2,5-Dichlorophényl)-5-(6-méthoxy-2-naphtyl)-1H-pyrazol-1-yl]éthyl}benzoyl)-β-alanine [French] [ACD/IUPAC Name]
N-(4-{(1S)-1-[3-(2,5-Dichlorphenyl)-5-(6-methoxy-2-naphthyl)-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-[4-[(1S)-1-[3-(2,5-dichlorophenyl)-5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-1-yl]ethyl]benzoyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 2164.68
ACD/KOC (pH 5.5): 3533.66
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 36.85
ACD/KOC (pH 7.4): 60.15
Polar Surface Area: 93 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 439.7±7.0 cm3

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