ChemSpider 2D Image | 8-({Benzyl[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C29H34N6O3

8-({Benzyl[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2450720

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 8-[[[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl](phenylmethyl)amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-({Benzyl[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7(6H)-on [German] [ACD/IUPAC Name]
8-({Benzyl[1-(1-cyclohexyl-1H-tétrazol-5-yl)propyl]amino}méthyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7(6H)-one [French] [ACD/IUPAC Name]
8-({Benzyl[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one [ACD/IUPAC Name]

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

ASN 05299997 [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: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±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: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1655.39
ACD/KOC (pH 5.5): 6947.00
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1707.47
ACD/KOC (pH 7.4): 7165.58
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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