ChemSpider 2D Image | cyclopeptine | C17H16N2O2

cyclopeptine

  • Molecular FormulaC17H16N2O2
  • Average mass280.321 Da
  • Monoisotopic mass280.121185 Da
  • ChemSpider ID22369699

More details:

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

1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-4-methyl-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepin-2,5-dion [German] [ACD/IUPAC Name]
3-Benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione [ACD/IUPAC Name]
3-Benzyl-4-méthyl-3,4-dihydro-1H-1,4-benzodiazépine-2,5-dione [French] [ACD/IUPAC Name]
cyclopeptine
(3S)-3-Benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione [ACD/IUPAC Name]
50886-63-0 [RN]
C20579

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.8±28.2 °C
Index of Refraction: 1.600
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.60
ACD/KOC (pH 5.5): 393.32
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.60
ACD/KOC (pH 7.4): 393.32
Polar Surface Area: 49 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 232.4±3.0 cm3

Click to predict properties on the Chemicalize site


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