ChemSpider 2D Image | 11-({(2R)-2-[(Diethylamino)methyl]-1-piperidinyl}acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one | C24H31N5O2

11-({(2R)-2-[(Diethylamino)methyl]-1-piperidinyl}acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

  • Molecular FormulaC24H31N5O2
  • Average mass421.535 Da
  • Monoisotopic mass421.247772 Da
  • ChemSpider ID32801140

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

11-({(2R)-2-[(Diethylamino)methyl]-1-piperidinyl}acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-on [German] [ACD/IUPAC Name]
11-({(2R)-2-[(Diethylamino)methyl]-1-piperidinyl}acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one [ACD/IUPAC Name]
11-(2-{(2R)-2-[(Diéthylamino)méthyl]-1-pipéridinyl}acétyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazépin-6-one [French] [ACD/IUPAC Name]
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[(2R)-2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [ACD/Index Name]
102394-31-0 [RN]
11-[2-[(2S)-2-(diethylaminomethyl)-1-piperidinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
11-[2-[(2S)-2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
11-[2-[(2S)-2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
11-[2-[(2S)-2-(diethylaminomethyl)piperidin-1-yl]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
OTENZEPAD [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00025002-01 [DBID]
Tocris-1105 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.5±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 359.8±3.0 cm3

Click to predict properties on the Chemicalize site


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