ChemSpider 2D Image | 7-methoxydehydrocyclopeptin | C18H16N2O3

7-methoxydehydrocyclopeptin

  • Molecular FormulaC18H16N2O3
  • Average mass308.331 Da
  • Monoisotopic mass308.116089 Da
  • ChemSpider ID60958443

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-Benzyliden-7-methoxy-4-methyl-3,4-dihydro-1H-1,4-benzodiazepin-2,5-dion [German] [ACD/IUPAC Name]
(3Z)-3-Benzylidene-7-methoxy-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione [ACD/IUPAC Name]
(3Z)-3-Benzylidène-7-méthoxy-4-méthyl-3,4-dihydro-1H-1,4-benzodiazépine-2,5-dione [French] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-7-methoxy-4-methyl-3-(phenylmethylene)-, (3Z)- [ACD/Index Name]
7-methoxydehydrocyclopeptin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.44
ACD/KOC (pH 5.5): 474.24
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.44
ACD/KOC (pH 7.4): 474.24
Polar Surface Area: 59 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 245.9±3.0 cm3

Click to predict properties on the Chemicalize site


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