ChemSpider 2D Image | 4-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl}-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylic acid | C30H34N8O3

4-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl}-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC30H34N8O3
  • Average mass554.643 Da
  • Monoisotopic mass554.275391 Da
  • ChemSpider ID23163219

More details:

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

1H-Imidazole-5-carboxylic acid, 4-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
4-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl}-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl}-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
4-{[4-(cyclopropylcarbonyl)piperazin-1-yl]methyl}-2-propyl-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid
Acide 4-{[4-(cyclopropylcarbonyl)-1-pipérazinyl]méthyl}-2-propyl-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
5-(4-Cyclopropanecarbonyl-piperazin-1-ylmethyl)-2-propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL309820/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.725
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 390.5±7.0 cm3

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