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

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

  • Molecular FormulaC35H34ClN7O4S2
  • Average mass716.272 Da
  • Monoisotopic mass715.180237 Da
  • ChemSpider ID9868062

More details:

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

1-{1-(4-Chlor-3-hydroxyphenyl)-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol-5-yl}-3-[2-({3-[2-(2-hydroxyethoxy)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}sulfanyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
1-{1-(4-Chloro-3-hydroxyphenyl)-3-[2-(methylsulfanyl)-2-propanyl]-1H-pyrazol-5-yl}-3-[2-({3-[2-(2-hydroxyethoxy)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}sulfanyl)benzyl]urea [ACD/IUPAC Name]
1-{1-(4-Chloro-3-hydroxyphényl)-3-[2-(méthylsulfanyl)-2-propanyl]-1H-pyrazol-5-yl}-3-[2-({3-[2-(2-hydroxyéthoxy)phényl][1,2,4]triazolo[4,3-a]pyridin-6-yl}sulfanyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-(4-chloro-3-hydroxyphenyl)-3-[1-methyl-1-(methylthio)ethyl]-1H-pyrazol-5-yl]-N'-[[2-[[3-[2-(2-hydroxyethoxy)phenyl]-1,2,4-triazolo[4,3-a]pyridin-6-yl]thio]phenyl]methyl]- [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: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16362.89
ACD/KOC (pH 5.5): 36039.55
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 11221.08
ACD/KOC (pH 7.4): 24714.62
Polar Surface Area: 189 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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