ChemSpider 2D Image | 3-{[Benzyl(2-thienylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methyl-2(1H)-quinolinone | C29H32N6OS

3-{[Benzyl(2-thienylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methyl-2(1H)-quinolinone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID2438444

More details:

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

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][(phenylmethyl)(2-thienylmethyl)amino]methyl]-7-methyl- [ACD/Index Name]
3-{[Benzyl(2-thienylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[Benzyl(2-thiénylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-7-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[Benzyl(2-thienylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04418865 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10883.16
ACD/KOC (pH 5.5): 26975.99
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10891.66
ACD/KOC (pH 7.4): 26997.05
Polar Surface Area: 104 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 410.3±7.0 cm3

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