ChemSpider 2D Image | Cyclopenin | C17H14N2O3

Cyclopenin

  • Molecular FormulaC17H14N2O3
  • Average mass294.305 Da
  • Monoisotopic mass294.100433 Da
  • ChemSpider ID34998451

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3'S)-4-Methyl-3'-phenylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dion [German] [ACD/IUPAC Name]
(3S,3'S)-4-Methyl-3'-phenylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione [ACD/IUPAC Name]
(3S,3'S)-4-Méthyl-3'-phénylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione [French] [ACD/IUPAC Name]
19553-26-5 [RN]
Cyclopenin
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, (3S,3'S)- [ACD/Index Name]
(3S,3'S)-4-Methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

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

AI3-15541 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.1±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.81
ACD/KOC (pH 5.5): 122.70
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 122.70
Polar Surface Area: 62 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 209.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement