ChemSpider 2D Image | 11-{[(3S)-1-Methyl-3-piperidinyl]carbonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one | C19H20N4O2

11-{[(3S)-1-Methyl-3-piperidinyl]carbonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

  • Molecular FormulaC19H20N4O2
  • Average mass336.388 Da
  • Monoisotopic mass336.158630 Da
  • ChemSpider ID34994981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

11-{[(3S)-1-Methyl-3-piperidinyl]carbonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-on [German] [ACD/IUPAC Name]
11-{[(3S)-1-Methyl-3-piperidinyl]carbonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one [ACD/IUPAC Name]
11-{[(3S)-1-Méthyl-3-pipéridinyl]carbonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazépin-5-one [French] [ACD/IUPAC Name]
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-11-[[(3S)-1-methyl-3-piperidinyl]carbonyl]- [ACD/Index Name]
96449-05-7 [RN]
Rispenzepine [INN]
UNII-W99LLM73R7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 28.89
Polar Surface Area: 66 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 265.4±3.0 cm3

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