ChemSpider 2D Image | {2-[6-({2-[({[1-(3-Chloro-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)methyl]phenyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl}(2-hydroxyethyl)sulfoniumolate | C35H34ClN7O4S2

{2-[6-({2-[({[1-(3-Chloro-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)methyl]phenyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl}(2-hydroxyethyl)sulfoniumolate

  • Molecular FormulaC35H34ClN7O4S2
  • Average mass716.272 Da
  • Monoisotopic mass715.180237 Da
  • ChemSpider ID28483140

More details:

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

{2-[6-({2-[({[1-(3-Chlor-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)methyl]phenyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl}(2-hydroxyethyl)sulfoniumolat [German] [ACD/IUPAC Name]
{2-[6-({2-[({[1-(3-Chloro-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)methyl]phenyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl}(2-hydroxyethyl)sulfoniumolate [ACD/IUPAC Name]
{2-[6-({2-[({[1-(3-Chloro-4-hydroxyphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)méthyl]phényl}sulfanyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]phényl}(2-hydroxyéthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, [2-[6-[[2-[[[[[1-(3-chloro-4-hydroxyphenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]methyl]phenyl]thio]-1,2,4-triazolo[4,3-a]pyridin-3-yl]phenyl]hydroxy(2-hydroxyethyl)-, inner salt [ACD/Index Name]
1344738-02-8 [RN]
3-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-1-{[2-({3-[2-(2-hydroxyethanesulfinyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl}sulfanyl)phenyl]methyl}urea

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: 1.718
Molar Refractivity: 195.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 178 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 496.1±7.0 cm3

Click to predict properties on the Chemicalize site


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