ChemSpider 2D Image | PF-03715455 | C35H34ClN7O3S2

PF-03715455

  • Molecular FormulaC35H34ClN7O3S2
  • Average mass700.273 Da
  • Monoisotopic mass699.185303 Da
  • ChemSpider ID9889301

More details:

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

1-[1-(3-Chlor-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}harnstoff [German] [ACD/IUPAC Name]
1-[1-(3-Chloro-4-hydroxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea [ACD/IUPAC Name]
1-[1-(3-Chloro-4-hydroxyphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyéthyl)sulfanyl]phényl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urée [French] [ACD/IUPAC Name]
1056164-52-3 [RN]
PF-03715455
Urea, N-[1-(3-chloro-4-hydroxyphenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N'-[[2-[[3-[2-[(2-hydroxyethyl)thio]phenyl]-1,2,4-triazolo[4,3-a]pyridin-6-yl]thio]phenyl]methyl]- [ACD/Index Name]
1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)-3-pyrazolyl]-3-[[2-[[3-[2-(2-hydroxyethylthio)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]thio]phenyl]methyl]urea
1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
1-[5-tert-butyl-2-(3-chloro-4-hydroxy-phenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0TJ631J0KP [DBID]
UNII:0TJ631J0KP [DBID]
UNII-0TJ631J0KP [DBID]

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: 1.703
Molar Refractivity: 194.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55853.73
ACD/KOC (pH 5.5): 86661.02
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 30005.97
ACD/KOC (pH 7.4): 46556.38
Polar Surface Area: 180 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 501.6±7.0 cm3

Click to predict properties on the Chemicalize site


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