ChemSpider 2D Image | 3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[(2-furylmethyl)(3-pyridinylmethyl)amino]methyl}-6-ethyl-2(1H)-quinolinone | C30H33N7O2

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

  • Molecular FormulaC30H33N7O2
  • Average mass523.629 Da
  • Monoisotopic mass523.269592 Da
  • ChemSpider ID2438274

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

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

ASN 04418130 [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: 750.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1756.83
ACD/KOC (pH 5.5): 7072.25
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1974.19
ACD/KOC (pH 7.4): 7947.26
Polar Surface Area: 102 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 391.7±7.0 cm3

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