ChemSpider 2D Image | petesicatib | C25H23F6N5O4S

petesicatib

  • Molecular FormulaC25H23F6N5O4S
  • Average mass603.537 Da
  • Monoisotopic mass603.137512 Da
  • ChemSpider ID64835235

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-(1-Cyancyclopropyl)-4-{[4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluormethyl)phenyl]sulfonyl}-1-{[1-(trifluormethyl)cyclopropyl]carbonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-(1-Cyanocyclopropyl)-4-{[4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide [ACD/IUPAC Name]
(4R)-N-(1-Cyanocyclopropyl)-4-{[4-(1-méthyl-1H-pyrazol-4-yl)-2-(trifluorométhyl)phényl]sulfonyl}-1-{[1-(trifluorométhyl)cyclopropyl]carbonyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-(1-cyanocyclopropyl)-4-[[4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl]-1-[[1-(trifluoromethyl)cyclopropyl]carbonyl]-, (2S,4R)- [ACD/Index Name]
petesicatib [INN]
petesicatib [Spanish] [INN]
pétésicatib [French] [INN]
petesicatibum [Latin] [INN]
петесикатиб [Russian] [INN]
بيتيسيكاتيب [Arabic] [INN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 818.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.7±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.48
ACD/KOC (pH 5.5): 247.37
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 247.35
Polar Surface Area: 134 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 372.3±7.0 cm3

Click to predict properties on the Chemicalize site


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