ChemSpider 2D Image | 1-(2-{[(3E)-3-(3-Chloro-6-oxo-2,4-cyclohexadien-1-ylidene)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)-3-{1-[3-(2-hydroxyethoxy)phenyl]-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol- 5-yl}urea | C35H34ClN7O4S2

1-(2-{[(3E)-3-(3-Chloro-6-oxo-2,4-cyclohexadien-1-ylidene)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)-3-{1-[3-(2-hydroxyethoxy)phenyl]-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol- 5-yl}urea

  • Molecular FormulaC35H34ClN7O4S2
  • Average mass716.272 Da
  • Monoisotopic mass715.180237 Da
  • ChemSpider ID9695279

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(2-{[(3E)-3-(3-Chlor-6-oxo-2,4-cyclohexadien-1-yliden)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)-3-{1-[3-(2-hydroxyethoxy)phenyl]-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol-5- yl}harnstoff [German] [ACD/IUPAC Name]
1-(2-{[(3E)-3-(3-Chloro-6-oxo-2,4-cyclohexadien-1-ylidene)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)-3-{1-[3-(2-hydroxyethoxy)phenyl]-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol- 5-yl}urea [ACD/IUPAC Name]
1-(2-{[(3E)-3-(3-Chloro-6-oxo-2,4-cyclohexadién-1-ylidène)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)-3-{1-[3-(2-hydroxyéthoxy)phényl]-3-[2-(méthylsulfanyl)-2-propanyl]-1H-pyrazol- 5-yl}urée [French] [ACD/IUPAC Name]
Urea, N-[[2-[[(3E)-3-(3-chloro-6-oxo-2,4-cyclohexadien-1-ylidene)-2,3-dihydro-1,2,4-triazolo[4,3-a]pyridin-6-yl]thio]phenyl]methyl]-N'-[1-[3-(2-hydroxyethoxy)phenyl]-3-[1-methyl-1-(methylthio)ethyl]-1 H-pyrazol-5-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: 1.698
Molar Refractivity: 195.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 614.91
ACD/KOC (pH 5.5): 3398.72
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 646.39
ACD/KOC (pH 7.4): 3572.69
Polar Surface Area: 184 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 508.0±7.0 cm3

Click to predict properties on the Chemicalize site


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