Found 1 result

Search term: PNQVNINMHSUQSR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (14xi)-17-(Cyclopropylmethyl)morphinan-3-yl phenylcarbamate | C27H32N2O2

(14ξ)-17-(Cyclopropylmethyl)morphinan-3-yl phenylcarbamate

  • Molecular FormulaC27H32N2O2
  • Average mass416.555 Da
  • Monoisotopic mass416.246368 Da
  • ChemSpider ID23287632

More details:

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

(14ξ)-17-(Cyclopropylmethyl)morphinan-3-yl phenylcarbamate [ACD/IUPAC Name]
(14ξ)-17-(Cyclopropylmethyl)morphinan-3-yl-phenylcarbamat [German] [ACD/IUPAC Name]
Morphinan-3-ol, 17-(cyclopropylmethyl)-, phenylcarbamate (ester), (14ξ)- [ACD/Index Name]
Phénylcarbamate de (14ξ)-17-(cyclopropylméthyl)morphinane-3-yle [French] [ACD/IUPAC Name]
17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl N-phenylcarbamate
CHEMBL397035
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397035/
MCL-429

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.0±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 10.35
ACD/KOC (pH 5.5): 28.86
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 355.80
ACD/KOC (pH 7.4): 991.73
Polar Surface Area: 42 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 337.5±5.0 cm3

Click to predict properties on the Chemicalize site


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