ChemSpider 2D Image | N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N~5~-[(E)-hydrazonomethyl]-N~2~-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-or nithinamide | C49H57N11O6

N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N5-[(E)-hydrazonomethyl]-N2-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-or nithinamide

  • Molecular FormulaC49H57N11O6
  • Average mass896.047 Da
  • Monoisotopic mass895.449341 Da
  • ChemSpider ID77481616

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Cyclopentaneacetamide, 1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]-N-[(1S)-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]-4-[[(E)-hy drazinylidenemethyl]amino]butyl]- [ACD/Index Name]
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N5-[(E)-hydrazonomethyl]-N2-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-or ; nithinamid [German] [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N5-[(E)-hydrazonomethyl]-N2-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-or ; nithinamide [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphényl-1,2,4-triazolidin-4-yl)éthyl]-N5-[(E)-hydrazonométhyl]-N2-[2-(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azépin-11-yl)-1-pipérazinyl]éthyl}cyclopentyl)acétyl]-L- ; ornithinamide [French] [ACD/IUPAC Name]
246146-55-4 [RN]
Cyclopentaneacetamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]-

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 250.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.62
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 16.39
ACD/KOC (pH 7.4): 145.66
Polar Surface Area: 205 Å2
Polarizability: 99.3±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 653.5±7.0 cm3

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