ChemSpider 2D Image | Ethyl 2-butyl-6-chloro-4,4-dimethyl-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,4-dihydro-5-pyrimidinecarboxylate | C27H31ClN6O2

Ethyl 2-butyl-6-chloro-4,4-dimethyl-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,4-dihydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H31ClN6O2
  • Average mass507.027 Da
  • Monoisotopic mass506.219696 Da
  • ChemSpider ID8181993

More details:

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

2-Butyl-6-chloro-4,4-diméthyl-1-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,4-dihydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-butyl-6-chloro-1,4-dihydro-4,4-dimethyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-butyl-6-chloro-4,4-dimethyl-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,4-dihydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
ethyl 2-butyl-6-chloro-4,4-dimethyl-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,4-dihydropyrimidine-5-carboxylate
Ethyl-2-butyl-6-chlor-4,4-dimethyl-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,4-dihydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 664.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.4±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 39.04
ACD/KOC (pH 5.5): 116.25
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 54.43
ACD/KOC (pH 7.4): 162.09
Polar Surface Area: 96 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 401.9±7.0 cm3

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