ChemSpider 2D Image | 2-[(4Z)-5-{[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-5-hydroxy-4-{[(E)-1-hydroxy-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]vinyl}cycl opentyl)vinyl]amino}-4-penten-1-yl]guanidine | C49H57N11O6

2-[(4Z)-5-{[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-5-hydroxy-4-{[(E)-1-hydroxy-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]vinyl}cycl opentyl)vinyl]amino}-4-penten-1-yl]guanidine

  • Molecular FormulaC49H57N11O6
  • Average mass896.047 Da
  • Monoisotopic mass895.449341 Da
  • ChemSpider ID95568736

More details:

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

2-[(4Z)-5-{[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-5-hydroxy-4-{[(E)-1-hydroxy-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]vinyl}cycl opentyl)vinyl]amino}-4-penten-1-yl]guanidin [German] [ACD/IUPAC Name]
2-[(4Z)-5-{[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino}-5-hydroxy-4-{[(E)-1-hydroxy-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]vinyl}cycl opentyl)vinyl]amino}-4-penten-1-yl]guanidine [ACD/IUPAC Name]
2-[(4Z)-5-{[2-(3,5-Dioxo-1,2-diphényl-1,2,4-triazolidin-4-yl)éthyl]amino}-5-hydroxy-4-{[(E)-1-hydroxy-2-(1-{(Z)-2-hydroxy-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azépin-11-yl)-1-pipérazinyl]vinyl}cycl opentyl)vinyl]amino}-4-pentén-1-yl]guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[(4Z)-4-[[(E)-2-[1-[(Z)-2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-hydroxyethenyl]cyclopentyl]-1-hydroxyethenyl]amino]-5-[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-tri azolidin-4-yl)ethyl]amino]-5-hydroxy-4-penten-1-yl]- [ACD/Index 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: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 645.6±7.0 cm3

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