ChemSpider 2D Image | N-(3-{1-[2-(8-Chloro-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl}propyl)-N-ethyl-2,2-dimethylpentanamide | C31H42ClN5O3

N-(3-{1-[2-(8-Chloro-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl}propyl)-N-ethyl-2,2-dimethylpentanamide

  • Molecular FormulaC31H42ClN5O3
  • Average mass568.150 Da
  • Monoisotopic mass567.297607 Da
  • ChemSpider ID117150

More details:

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

N-(3-{1-[2-(8-Chlor-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl}propyl)-N-ethyl-2,2-dimethylpentanamid [German] [ACD/IUPAC Name]
N-(3-{1-[2-(8-Chloro-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl}propyl)-N-ethyl-2,2-dimethylpentanamide [ACD/IUPAC Name]
N-(3-{1-[2-(8-Chloro-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazépin-11-yl)-2-oxoéthyl]-4-pipéridinyl}propyl)-N-éthyl-2,2-diméthylpentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[3-[1-[2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl]propyl]-N-ethyl-2,2-dimethyl- [ACD/Index Name]
145301-48-0 [RN]
BIBN
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4468100/
N-(3-(1-(2-(8-Chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethylpentanamide
N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-

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

Bibn 99 [DBID]
Bibn-99 [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: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 190.28
ACD/KOC (pH 5.5): 736.81
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1990.45
ACD/KOC (pH 7.4): 7707.60
Polar Surface Area: 86 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

Click to predict properties on the Chemicalize site


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