ChemSpider 2D Image | N-(2,2-Dimethylpropyl)-1-[3-fluoro-5-({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide | C28H37FN6O5S

N-(2,2-Dimethylpropyl)-1-[3-fluoro-5-({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC28H37FN6O5S
  • Average mass588.694 Da
  • Monoisotopic mass588.252991 Da
  • ChemSpider ID8636431

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 1-[5-[[[5-(1,1-dimethylethyl)-2-methoxy-3-[(methylsulfonyl)amino]phenyl]amino]carbonyl]-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)- [ACD/Index Name]
N-(2,2-Dimethylpropyl)-1-[3-fluor-5-({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(2,2-Dimethylpropyl)-1-[3-fluoro-5-({2-methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-(2,2-Diméthylpropyl)-1-[3-fluoro-5-({2-méthoxy-5-(2-méthyl-2-propanyl)-3-[(méthylsulfonyl)amino]phényl}carbamoyl)-2-méthylphényl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 530.29
ACD/KOC (pH 5.5): 3097.94
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 357.35
ACD/KOC (pH 7.4): 2087.58
Polar Surface Area: 153 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 458.4±7.0 cm3

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