ChemSpider 2D Image | N-[(1Z)-5-[(Diaminomethylene)amino]-1-{[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-1-hydroxy-1-penten-2-yl]-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl) -1-piperazinyl]vinyl}cyclopentyl)acetamide | C49H57N11O6

N-[(1Z)-5-[(Diaminomethylene)amino]-1-{[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-1-hydroxy-1-penten-2-yl]-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl) -1-piperazinyl]vinyl}cyclopentyl)acetamide

  • Molecular FormulaC49H57N11O6
  • Average mass896.047 Da
  • Monoisotopic mass895.449341 Da
  • ChemSpider ID95754112

More details:

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

Cyclopentaneacetamide, N-[(1Z)-4-[(diaminomethylene)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]hydroxymethylene]butyl]-1-[(Z)-2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepi n-11-yl)-1-piperazinyl]-2-hydroxyethenyl]- [ACD/Index Name]
N-[(1Z)-5-[(Diaminomethylen)amino]-1-{[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-1-hydroxy-1-penten-2-yl]-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)- 1-piperazinyl]vinyl}cyclopentyl)acetamid [German] [ACD/IUPAC Name]
N-[(1Z)-5-[(Diaminomethylene)amino]-1-{[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-1-hydroxy-1-penten-2-yl]-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl) -1-piperazinyl]vinyl}cyclopentyl)acetamide [ACD/IUPAC Name]
N-[(1Z)-5-[(Diaminométhylène)amino]-1-{[2-(3,5-dioxo-1,2-diphényl-1,2,4-triazolidin-4-yl)éthyl]amino}-1-hydroxy-1-pentén-2-yl]-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azépin-11-yl) -1-pipérazinyl]vinyl}cyclopentyl)acétamide [French] [ACD/IUPAC Name]

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: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 225 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


Advertisement