ChemSpider 2D Image | 6-Methoxy-3-{[(4-methoxybenzyl){1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-quinolinone | C28H36N6O3

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

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID2450507

More details:

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

2(1H)-Quinolinone, 3-[[[1-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl]propyl][(4-methoxyphenyl)methyl]amino]methyl]-6-methoxy- [ACD/Index Name]
6-Methoxy-3-{[(4-methoxybenzyl){1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Méthoxy-3-{[(4-méthoxybenzyl){1-[1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Methoxy-3-{[(4-methoxybenzyl){1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05299538 [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: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1106.36
ACD/KOC (pH 5.5): 5192.42
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1151.50
ACD/KOC (pH 7.4): 5404.25
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 419.5±7.0 cm3

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