Found 26 results

Search term: MF = 'C_{29}H_{34}N_{6}O_{4}S_{2}'
ChemSpider 2D Image | N-{[5-({2-[(3-Methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-1,2,4-triazolidin-3-yl]methyl}-4-(1-pyrrolidinylsulfonyl)benzamide | C29H34N6O4S2

N-{[5-({2-[(3-Methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-1,2,4-triazolidin-3-yl]methyl}-4-(1-pyrrolidinylsulfonyl)benzamide

  • Molecular FormulaC29H34N6O4S2
  • Average mass594.748 Da
  • Monoisotopic mass594.208313 Da
  • ChemSpider ID110331997

More details:

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

Benzamide, N-[[5-[[2-[(3-methylphenyl)amino]-2-oxoethyl]thio]-4-phenyl-1,2,4-triazolidin-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
N-{[5-({2-[(3-Methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-1,2,4-triazolidin-3-yl]methyl}-4-(1-pyrrolidinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-{[5-({2-[(3-Methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-1,2,4-triazolidin-3-yl]methyl}-4-(1-pyrrolidinylsulfonyl)benzamide [ACD/IUPAC Name]
N-{[5-({2-[(3-Méthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-phényl-1,2,4-triazolidin-3-yl]méthyl}-4-(1-pyrrolidinylsulfonyl)benzamide [French] [ACD/IUPAC Name]

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: 1.701
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 41.70
ACD/KOC (pH 5.5): 455.68
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.62
ACD/KOC (pH 7.4): 640.51
Polar Surface Area: 157 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


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