ChemSpider 2D Image | (11aS)-7,8-Dimethoxy-2-(2-naphthyl)-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one | C24H22N2O3

(11aS)-7,8-Dimethoxy-2-(2-naphthyl)-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

  • Molecular FormulaC24H22N2O3
  • Average mass386.443 Da
  • Monoisotopic mass386.163055 Da
  • ChemSpider ID25058277
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(11aS)-7,8-Dimethoxy-2-(2-naphthyl)-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-on [German] [ACD/IUPAC Name]
(11aS)-7,8-Dimethoxy-2-(2-naphthyl)-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one [ACD/IUPAC Name]
(11aS)-7,8-Diméthoxy-2-(2-naphtyl)-1,10,11,11a-tétrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazépin-5-one [French] [ACD/IUPAC Name]
(11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 1,10,11,11a-tetrahydro-7,8-dimethoxy-2-(2-naphthalenyl)-, (11aS)- [ACD/Index Name]
PZD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 695.70
ACD/KOC (pH 5.5): 3767.34
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 696.66
ACD/KOC (pH 7.4): 3772.53
Polar Surface Area: 51 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 292.0±5.0 cm3

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