ChemSpider 2D Image | 3-{[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-7-methyl-2(1H)-quinolinone | C29H31N7O3

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

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2402188

More details:

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

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

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

BAS 04418707 [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: 752.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.1±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 305.11
ACD/KOC (pH 5.5): 2016.89
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.73
ACD/KOC (pH 7.4): 2278.79
Polar Surface Area: 107 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

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