ChemSpider 2D Image | 6-[(2R)-2-(Dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one | C17H20N4O

6-[(2R)-2-(Dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

  • Molecular FormulaC17H20N4O
  • Average mass296.367 Da
  • Monoisotopic mass296.163696 Da
  • ChemSpider ID34983671
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6-[(2R)-2-(dimethylamino)propyl]-6,11-dihydro- [ACD/Index Name]
6-[(2R)-2-(Dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-on [German] [ACD/IUPAC Name]
6-[(2R)-2-(Dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one [ACD/IUPAC Name]
6-[(2R)-2-(Diméthylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazépin-5-one [French] [ACD/IUPAC Name]
10321-12-7 [RN]
233-705-9 [EINECS]
Propizepine [INN]
UNII-09B57945V9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.3±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 40.08
Polar Surface Area: 48 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 255.3±3.0 cm3

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