ChemSpider 2D Image | 1-[3-(Dimethylamino)propyl]-5-hydroxy-4-(2-phenylethyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-dihydro-2H-imidazole-2-thione | C30H33N7OS

1-[3-(Dimethylamino)propyl]-5-hydroxy-4-(2-phenylethyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-dihydro-2H-imidazole-2-thione

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID34972754

More details:

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

1-[3-(Dimethylamino)propyl]-5-hydroxy-4-(2-phenylethyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-dihydro-2H-imidazol-2-thion [German] [ACD/IUPAC Name]
1-[3-(Dimethylamino)propyl]-5-hydroxy-4-(2-phenylethyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-dihydro-2H-imidazole-2-thione [ACD/IUPAC Name]
1-[3-(Diméthylamino)propyl]-5-hydroxy-4-(2-phényléthyl)-3-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,3-dihydro-2H-imidazole-2-thione [French] [ACD/IUPAC Name]
2H-Imidazole-2-thione, 1-[3-(dimethylamino)propyl]-1,3-dihydro-5-hydroxy-4-(2-phenylethyl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
CHEMBL110900

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 736.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.2±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 12.38
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 13.56
Polar Surface Area: 117 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 400.1±5.0 cm3

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