ChemSpider 2D Image | 3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[(2-furylmethyl)(3-pyridinylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone | C29H31N7O3

3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[(2-furylmethyl)(3-pyridinylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2438867

More details:

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

2(1H)-Quinolinone, 3-[(1-cyclohexyl-1H-tetrazol-5-yl)[(2-furanylmethyl)(3-pyridinylmethyl)amino]methyl]-6-methoxy- [ACD/Index Name]
3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[(2-furylmethyl)(3-pyridinylmethyl)amino]methyl}-6-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(1-Cyclohexyl-1H-tétrazol-5-yl)[(2-furylméthyl)(3-pyridinylméthyl)amino]méthyl}-6-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[(2-furylmethyl)(3-pyridinylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04421970 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 764.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 360.18
ACD/KOC (pH 5.5): 2274.78
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 404.41
ACD/KOC (pH 7.4): 2554.18
Polar Surface Area: 111 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 382.1±7.0 cm3

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