ChemSpider 2D Image | 7-({[1-(1-Benzyl-1H-tetrazol-5-yl)butyl](cyclohexyl)amino}methyl)[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C29H34N6O3

7-({[1-(1-Benzyl-1H-tetrazol-5-yl)butyl](cyclohexyl)amino}methyl)[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2455270

More details:

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

1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-[[cyclohexyl[1-[1-(phenylmethyl)-1H-tetrazol-5-yl]butyl]amino]methyl]- [ACD/Index Name]
7-({[1-(1-Benzyl-1H-tetrazol-5-yl)butyl](cyclohexyl)amino}methyl)[1,3]dioxolo[4,5-g]chinolin-6(5H)-on [German] [ACD/IUPAC Name]
7-({[1-(1-Benzyl-1H-tétrazol-5-yl)butyl](cyclohexyl)amino}méthyl)[1,3]dioxolo[4,5-g]quinoléin-6(5H)-one [French] [ACD/IUPAC Name]
7-({[1-(1-Benzyl-1H-tetrazol-5-yl)butyl](cyclohexyl)amino}methyl)[1,3]dioxolo[4,5-g]quinolin-6(5H)-one [ACD/IUPAC Name]

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

ASN 05386712 [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: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±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: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1491.41
ACD/KOC (pH 5.5): 6107.35
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1856.13
ACD/KOC (pH 7.4): 7600.90
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

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