ChemSpider 2D Image | 3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone | C29H34N6O3

3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2426809

More details:

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

2(1H)-Quinolinone, 7-methoxy-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}-7-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(4-Benzyl-1-pipéridinyl)[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]méthyl}-7-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(4-Benzyl-1-piperidinyl)[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 03775800 [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: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 294.49
ACD/KOC (pH 5.5): 1695.43
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 554.94
ACD/KOC (pH 7.4): 3194.87
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 377.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement