Found 19 results

Search term: MF = 'C_{29}H_{29}N_{9}O_{2}'
ChemSpider 2D Image | 5-Butyl-N-methyl-N-phenyl-4-(4-{[2-(1H-tetrazol-5-yl)benzoyl]amino}benzyl)-4H-1,2,4-triazole-3-carboxamide | C29H29N9O2

5-Butyl-N-methyl-N-phenyl-4-(4-{[2-(1H-tetrazol-5-yl)benzoyl]amino}benzyl)-4H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC29H29N9O2
  • Average mass535.600 Da
  • Monoisotopic mass535.244446 Da
  • ChemSpider ID31119291

More details:

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

4H-1,2,4-Triazole-3-carboxamide, 5-butyl-N-methyl-N-phenyl-4-[[4-[[2-(1H-tetrazol-5-yl)benzoyl]amino]phenyl]methyl]- [ACD/Index Name]
5-Butyl-N-methyl-N-phenyl-4-(4-{[2-(1H-tetrazol-5-yl)benzoyl]amino}benzyl)-4H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Butyl-N-methyl-N-phenyl-4-(4-{[2-(1H-tetrazol-5-yl)benzoyl]amino}benzyl)-4H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
5-Butyl-N-méthyl-N-phényl-4-(4-{[2-(1H-tétrazol-5-yl)benzoyl]amino}benzyl)-4H-1,2,4-triazole-3-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: 1.689
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 30.28
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.79
Polar Surface Area: 135 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 403.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement