ChemSpider 2D Image | 2-Butyl-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-pyrimidinone | C30H35N7O2

2-Butyl-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-pyrimidinone

  • Molecular FormulaC30H35N7O2
  • Average mass525.645 Da
  • Monoisotopic mass525.285217 Da
  • ChemSpider ID18931928

More details:

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

2-Butyl-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Butyl-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-Butyl-6-méthyl-5-[2-oxo-2-(1-pipéridinyl)éthyl]-3-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-butyl-6-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index 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: 758.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 35.53
ACD/KOC (pH 5.5): 198.33
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 37.10
Polar Surface Area: 107 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 410.2±7.0 cm3

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