ChemSpider 2D Image | 3-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-5,7-dimethyl-2(1H)-quinolinone | C28H36N6O3

3-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-5,7-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID2454442

More details:

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

2(1H)-Quinolinone, 3-[[[1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-2-methylpropyl][(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl- [ACD/Index Name]
3-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-5,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(4-Méthoxybenzyl){1-[1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]-2-méthylpropyl}amino]méthyl}-5,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-5,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05380219 [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: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 619.17
ACD/KOC (pH 5.5): 3438.55
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.22
ACD/KOC (pH 7.4): 3538.82
Polar Surface Area: 94 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 414.1±7.0 cm3

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