ChemSpider 2D Image | 6-Chloro-N-[(1R,2S)-2-({2'-[(3-hydroxy-1-pyrrolidinyl)methyl]-4-biphenylyl}carbamoyl)cyclopentyl]-2-naphthamide | C34H34ClN3O3

6-Chloro-N-[(1R,2S)-2-({2'-[(3-hydroxy-1-pyrrolidinyl)methyl]-4-biphenylyl}carbamoyl)cyclopentyl]-2-naphthamide

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID9425048

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Naphthalenecarboxamide, 6-chloro-N-[(1R,2S)-2-[[[2'-[(3-hydroxy-1-pyrrolidinyl)methyl][1,1'-biphenyl]-4-yl]amino]carbonyl]cyclopentyl]- [ACD/Index Name]
6-Chlor-N-[(1R,2S)-2-({2'-[(3-hydroxy-1-pyrrolidinyl)methyl]-4-biphenylyl}carbamoyl)cyclopentyl]-2-naphthamid [German] [ACD/IUPAC Name]
6-Chloro-N-[(1R,2S)-2-({2'-[(3-hydroxy-1-pyrrolidinyl)méthyl]-4-biphénylyl}carbamoyl)cyclopentyl]-2-naphtamide [French] [ACD/IUPAC Name]
6-Chloro-N-[(1R,2S)-2-({2'-[(3-hydroxy-1-pyrrolidinyl)methyl]-4-biphenylyl}carbamoyl)cyclopentyl]-2-naphthamide [ACD/IUPAC 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: 855.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.3±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 18.23
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 192.07
ACD/KOC (pH 7.4): 652.82
Polar Surface Area: 82 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

Click to predict properties on the Chemicalize site


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