ChemSpider 2D Image | 6,7-Dimethoxy-3-{[(4-methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-quinolinone | C27H34N6O5

6,7-Dimethoxy-3-{[(4-methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-quinolinone

  • Molecular FormulaC27H34N6O5
  • Average mass522.596 Da
  • Monoisotopic mass522.259094 Da
  • ChemSpider ID2450828

More details:

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

2(1H)-Quinolinone, 6,7-dimethoxy-3-[[[1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl][(4-methoxyphenyl)methyl]amino]methyl]- [ACD/Index Name]
6,7-Dimethoxy-3-{[(4-methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6,7-Diméthoxy-3-{[(4-méthoxybenzyl){1-[1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6,7-Dimethoxy-3-{[(4-methoxybenzyl){1-[1-(2-methoxyethyl)-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 05300369 [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: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.07
ACD/KOC (pH 5.5): 550.44
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.85
ACD/KOC (pH 7.4): 570.86
Polar Surface Area: 113 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 411.9±7.0 cm3

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