ChemSpider 2D Image | (5alpha)-14-{[3-(4-Chlorophenyl)propyl]amino}-17-(cyclopropylmethyl)-3-methoxy-4,5-epoxymorphinan-6-one | C30H35ClN2O3

(5α)-14-{[3-(4-Chlorophenyl)propyl]amino}-17-(cyclopropylmethyl)-3-methoxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC30H35ClN2O3
  • Average mass507.064 Da
  • Monoisotopic mass506.233612 Da
  • ChemSpider ID17245927

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α)-14-{[3-(4-Chlorophenyl)propyl]amino}-17-(cyclopropylmethyl)-3-methoxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-14-{[3-(4-Chlorophényl)propyl]amino}-17-(cyclopropylméthyl)-3-méthoxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
(5α)-14-{[3-(4-Chlorphenyl)propyl]amino}-17-(cyclopropylmethyl)-3-methoxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
Morphinan-6-one, 14-[[3-(4-chlorophenyl)propyl]amino]-17-(cyclopropylmethyl)-4,5-epoxy-3-methoxy-, (5α)- [ACD/Index Name]
CHEMBL384497
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384497/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 435.16
ACD/KOC (pH 7.4): 1580.32
Polar Surface Area: 51 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

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