ChemSpider 2D Image | N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide | C30H34N6O5S

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

  • Molecular FormulaC30H34N6O5S
  • Average mass590.693 Da
  • Monoisotopic mass590.231140 Da
  • ChemSpider ID8433322

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]-2-methylphenyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-[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-Benzyl-1-[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-Benzyl-1-[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]
N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide

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

337 [DBID]

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: 1.629
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 561.39
ACD/KOC (pH 5.5): 3232.00
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.36
ACD/KOC (pH 7.4): 3122.43
Polar Surface Area: 153 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 456.4±7.0 cm3

Click to predict properties on the Chemicalize site


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