ChemSpider 2D Image | 8-({[(1-Cyclohexyl-1H-tetrazol-5-yl)methyl](2-phenylethyl)amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C28H32N6O3

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

  • Molecular FormulaC28H32N6O3
  • Average mass500.592 Da
  • Monoisotopic mass500.253601 Da
  • ChemSpider ID1209334

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-cyclohexyl-1H-tetrazol-5-yl)methyl](2-phenylethyl)amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-({[(1-Cyclohexyl-1H-tetrazol-5-yl)methyl](2-phenylethyl)amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7(6H)-on [German] [ACD/IUPAC Name]
8-({[(1-Cyclohexyl-1H-tétrazol-5-yl)méthyl](2-phényléthyl)amino}méthyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7(6H)-one [French] [ACD/IUPAC Name]
8-({[(1-Cyclohexyl-1H-tetrazol-5-yl)methyl](2-phenylethyl)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 05298929 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 659.54
ACD/KOC (pH 5.5): 3450.11
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 784.82
ACD/KOC (pH 7.4): 4105.48
Polar Surface Area: 94 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 362.3±7.0 cm3

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