ChemSpider 2D Image | (2S,3S)-6'-Methyl-3-phenyl-13'H-spiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione | C24H17N3O3

(2S,3S)-6'-Methyl-3-phenyl-13'H-spiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione

  • Molecular FormulaC24H17N3O3
  • Average mass395.410 Da
  • Monoisotopic mass395.126984 Da
  • ChemSpider ID22842375

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-6'-Methyl-3-phenyl-13'H-spiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione [ACD/IUPAC Name]
Spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione, 6'-methyl-3-phenyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-6'-Methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
Benzomalvin C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.44
ACD/KOC (pH 5.5): 223.51
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.44
ACD/KOC (pH 7.4): 223.51
Polar Surface Area: 66 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 279.4±7.0 cm3

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