ChemSpider 2D Image | 3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6-ethoxy-2(1H)-quinolinone | C30H36N6O3

3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6-ethoxy-2(1H)-quinolinone

  • Molecular FormulaC30H36N6O3
  • Average mass528.645 Da
  • Monoisotopic mass528.284912 Da
  • ChemSpider ID2426735

More details:

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

2(1H)-Quinolinone, 6-ethoxy-3-[[4-(phenylmethyl)-1-piperidinyl][1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6-ethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(4-Benzyl-1-pipéridinyl)[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]méthyl}-6-éthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6-ethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 03775688 [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: 764.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.3±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 494.47
ACD/KOC (pH 5.5): 2444.16
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 948.47
ACD/KOC (pH 7.4): 4688.22
Polar Surface Area: 94 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


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