ChemSpider 2D Image | 6-Ethoxy-3-{[{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone | C27H28N6O3S

6-Ethoxy-3-{[{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone

  • Molecular FormulaC27H28N6O3S
  • Average mass516.615 Da
  • Monoisotopic mass516.194336 Da
  • ChemSpider ID991330

More details:

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

2(1H)-Quinolinone, 6-ethoxy-3-[[[[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]methyl](2-thienylmethyl)amino]methyl]- [ACD/Index Name]
6-Ethoxy-3-{[{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}(2-thienylmethyl)amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Éthoxy-3-{[{[1-(4-méthoxybenzyl)-1H-tétrazol-5-yl]méthyl}(2-thiénylméthyl)amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Ethoxy-3-{[{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04370393 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.77
ACD/KOC (pH 5.5): 2548.16
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 406.37
ACD/KOC (pH 7.4): 2564.52
Polar Surface Area: 123 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 387.5±7.0 cm3

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