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

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

  • Molecular FormulaC49H57N11O6
  • Average mass896.047 Da
  • Monoisotopic mass895.449341 Da
  • ChemSpider ID32821936

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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-[(11S)-6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-y l]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N2-{[1-(2-oxo-2-{4-[(11S)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl]-1-piperazinyl}ethyl)cyclopentyl]acetyl}-L-argininamid [German] [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N2-{[1-(2-oxo-2-{4-[(11S)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl]-1-piperazinyl}ethyl)cyclopentyl]acetyl}-L-argininamide [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphényl-1,2,4-triazolidin-4-yl)éthyl]-N2-{2-[1-(2-oxo-2-{4-[(11S)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azépin-11-yl]-1-pipérazinyl}éthyl)cyclopentyl]acétyl}-L-argininamide [French] [ACD/IUPAC Name]
(S)-5-((diaminomethylene)amino)-N-(2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)-2-(2-(1-(2-oxo-2-(4-((S)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)piperazin-1-yl)ethyl)cyclopentyl)acet
246146-55-4 [RN]
BIIE 0246 [Wiki]
BIIE-0246
UNII-N3Z657H81X

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: 1.700
Molar Refractivity: 249.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.52
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.65
Polar Surface Area: 219 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 645.6±7.0 cm3

Click to predict properties on the Chemicalize site


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