ChemSpider 2D Image | 2-Butyl-6-[3-(4-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-quinazolinone | C34H31N7O2S

2-Butyl-6-[3-(4-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-quinazolinone

  • Molecular FormulaC34H31N7O2S
  • Average mass601.721 Da
  • Monoisotopic mass601.226013 Da
  • ChemSpider ID23141515

More details:

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

2-Butyl-6-[3-(4-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-Butyl-6-[3-(4-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
2-Butyl-6-[3-(4-méthyl-2-thiényl)-4,5-dihydro-1,2-oxazol-5-yl]-3-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-butyl-6-[4,5-dihydro-3-(4-methyl-2-thienyl)-5-isoxazolyl]-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-Butyl-6-[3-(4-methyl-thiophen-2-yl)-4,5-dihydro-isoxazol-5-yl]-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL295279/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 458.9±37.1 °C
Index of Refraction: 1.729
Molar Refractivity: 173.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 955.23
ACD/KOC (pH 5.5): 2175.93
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 157.42
ACD/KOC (pH 7.4): 358.58
Polar Surface Area: 137 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 434.8±7.0 cm3

Click to predict properties on the Chemicalize site


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