ChemSpider 2D Image | 1-(3-Carbamimidoylphenyl)-4-methyl-N-{2'-[1-(trifluoromethyl)-1H-tetrazol-5-yl]-4-biphenylyl}-1H-pyrrole-2-carboxamide | C27H21F3N8O

1-(3-Carbamimidoylphenyl)-4-methyl-N-{2'-[1-(trifluoromethyl)-1H-tetrazol-5-yl]-4-biphenylyl}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC27H21F3N8O
  • Average mass530.504 Da
  • Monoisotopic mass530.179016 Da
  • ChemSpider ID8134257

More details:

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

1-(3-Carbamimidoylphenyl)-4-methyl-N-{2'-[1-(trifluormethyl)-1H-tetrazol-5-yl]-4-biphenylyl}-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
1-(3-Carbamimidoylphenyl)-4-methyl-N-{2'-[1-(trifluoromethyl)-1H-tetrazol-5-yl]-4-biphenylyl}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
1-(3-Carbamimidoylphényl)-4-méthyl-N-{2'-[1-(trifluorométhyl)-1H-tétrazol-5-yl]-4-biphénylyl}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxamide, 1-[3-[(Z)-aminoiminomethyl]phenyl]-4-methyl-N-[2'-[1-(trifluoromethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]- [ACD/Index 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: 1.679
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 9.98
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 10.82
Polar Surface Area: 128 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 368.4±7.0 cm3

Click to predict properties on the Chemicalize site


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