ChemSpider 2D Image | N-[cis-3-(2-{[(1S,2R)-2-(2-Chlorophenyl)cyclopropyl](propyl)amino}ethyl)-3-hydroxycyclobutyl]-2-naphthamide | C29H33ClN2O2

N-[cis-3-(2-{[(1S,2R)-2-(2-Chlorophenyl)cyclopropyl](propyl)amino}ethyl)-3-hydroxycyclobutyl]-2-naphthamide

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID34256822
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Naphthalenecarboxamide, N-[cis-3-[2-[[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]propylamino]ethyl]-3-hydroxycyclobutyl]- [ACD/Index Name]
N-[cis-3-(2-{[(1S,2R)-2-(2-Chlorophényl)cyclopropyl](propyl)amino}éthyl)-3-hydroxycyclobutyl]-2-naphtamide [French] [ACD/IUPAC Name]
N-[cis-3-(2-{[(1S,2R)-2-(2-Chlorophenyl)cyclopropyl](propyl)amino}ethyl)-3-hydroxycyclobutyl]-2-naphthamide [ACD/IUPAC Name]
N-[cis-3-(2-{[(1S,2R)-2-(2-Chlorphenyl)cyclopropyl](propyl)amino}ethyl)-3-hydroxycyclobutyl]-2-naphthamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 21.37
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 258.73
ACD/KOC (pH 7.4): 889.14
Polar Surface Area: 53 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

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