ChemSpider 2D Image | 8-({[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl](2-methoxybenzyl)amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C31H38N6O4

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

  • Molecular FormulaC31H38N6O4
  • Average mass558.671 Da
  • Monoisotopic mass558.295471 Da
  • ChemSpider ID2454261

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)-2-methylpropyl][(2-methoxyphenyl)methyl]amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-({[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl](2-methoxybenzyl)amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7(6H)-on [German] [ACD/IUPAC Name]
8-({[1-(1-Cyclohexyl-1H-tétrazol-5-yl)-2-méthylpropyl](2-méthoxybenzyl)amino}méthyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7(6H)-one [French] [ACD/IUPAC Name]
8-({[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl](2-methoxybenzyl)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 05379429 [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: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2315.01
ACD/KOC (pH 5.5): 8844.02
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2376.52
ACD/KOC (pH 7.4): 9079.00
Polar Surface Area: 104 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 414.2±7.0 cm3

Click to predict properties on the Chemicalize site


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