ChemSpider 2D Image | clocinnamox | C29H29ClN2O4

clocinnamox

  • Molecular FormulaC29H29ClN2O4
  • Average mass505.005 Da
  • Monoisotopic mass504.181580 Da
  • ChemSpider ID5022878

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-3-(4-Chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl]acrylamide [ACD/IUPAC Name]
(2E)-3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl]prop-2-enamide
(2E)-3-(4-Chlorophényl)-N-[(5α)-17-(cyclopropylméthyl)-3-hydroxy-6-oxo-4,5-époxymorphinane-14-yl]acrylamide [French] [ACD/IUPAC Name]
(2E)-3-(4-Chlorphenyl)-N-[(5α)-17-(cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl]acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-(4-chlorophenyl)-N-((5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl)-, (E)-
2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, (2E)- [ACD/Index Name]
clocinnamox
117332-69-1 [RN]
122566-12-5 [RN]
CHEMBL386492
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 753.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 17.92
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 78.16
ACD/KOC (pH 7.4): 647.56
Polar Surface Area: 79 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 349.0±5.0 cm3

Click to predict properties on the Chemicalize site


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