ChemSpider 2D Image | NIBR0213 | C27H29ClN2O3

NIBR0213

  • Molecular FormulaC27H29ClN2O3
  • Average mass464.984 Da
  • Monoisotopic mass464.186676 Da
  • ChemSpider ID31142465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-2-({3'-[(R)-1-(4-Chloro-3-methyl-phenyl)-ethylamino]-3,5-dimethyl-biphenyl-4-carbonyl}-amino)-propionic acid
1233332-14-3 [RN]
L-Alanine, N-[[3'-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]-3,5-dimethyl[1,1'-biphenyl]-4-yl]carbonyl]- [ACD/Index Name]
MFCD25977008
N-[(3'-{[(1R)-1-(4-Chlor-3-methylphenyl)ethyl]amino}-3,5-dimethyl-4-biphenylyl)carbonyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(3'-{[(1R)-1-(4-Chloro-3-methylphenyl)ethyl]amino}-3,5-dimethyl-4-biphenylyl)carbonyl]-L-alanine [ACD/IUPAC Name]
N-[(3'-{[(1R)-1-(4-Chloro-3-méthylphényl)éthyl]amino}-3,5-diméthyl-4-biphénylyl)carbonyl]-L-alanine [French] [ACD/IUPAC Name]
N-[[3'-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]-3,5-dimethyl[1,1'-biphenyl]-4-yl]carbonyl]-L-alanine
NIBR 0213
NIBR0213
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 57.40
ACD/KOC (pH 5.5): 162.79
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 78 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 381.3±3.0 cm3

Click to predict properties on the Chemicalize site


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