ChemSpider 2D Image | 6-Methoxy-3-{[{1-[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2(1H)-quinolinone | C29H31N7O3

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

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2450555

More details:

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

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

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

ASN 05299611 [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: 785.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.6±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: 4.14
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 161.98
ACD/KOC (pH 5.5): 1275.69
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.08
ACD/KOC (pH 7.4): 1465.44
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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