ChemSpider 2D Image | 1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide | C29H35N7O5S

1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID23315740

More details:

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

1-[5-({2-Methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-N-(3-pyridinylmethyl)-2,3-dihydro-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-[5-({2-Methoxy-5-(2-methyl-2-propanyl)-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-N-(3-pyridinylmethyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-[5-({2-Méthoxy-5-(2-méthyl-2-propanyl)-3-[(méthylsulfonyl)amino]phényl}carbamoyl)-2-méthylphényl]-N-(3-pyridinylméthyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide
1H-1,2,3-Triazole-4-carboxamide, 1-[5-[[[5-(1,1-dimethylethyl)-2-methoxy-3-[(methylsulfonyl)amino]phenyl]amino]carbonyl]-2-methylphenyl]-2,3-dihydro-N-(3-pyridinylmethyl)- [ACD/Index Name]
1-(5-((5-tert-butyl-2-methoxy-3-(methylsulfonamido)phenyl)carbamoyl)-2-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-1,2,3-triazole-4-carboxamide

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: 1.634
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 14.84
ACD/KOC (pH 5.5): 224.27
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 17.78
ACD/KOC (pH 7.4): 268.74
Polar Surface Area: 162 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 447.6±3.0 cm3

Click to predict properties on the Chemicalize site


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