ChemSpider 2D Image | N-Benzyl-2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C27H27N5O2S2

N-Benzyl-2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC27H27N5O2S2
  • Average mass517.666 Da
  • Monoisotopic mass517.160645 Da
  • ChemSpider ID1644037

More details:

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

Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-Benzyl-2-({2-[(4-méthyl-5-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
2-[2-(4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid benzylamide
N-benzyl-2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

ZINC02847033 [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: 1.713
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9476.79
ACD/KOC (pH 5.5): 24438.71
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9477.03
ACD/KOC (pH 7.4): 24439.32
Polar Surface Area: 142 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 376.4±7.0 cm3

Click to predict properties on the Chemicalize site


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