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

8-[(Cyclopentyl{1-[1-(2-phenylethyl)-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 ID2450775

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 8-[[cyclopentyl[1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl]amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-[(Cyclopentyl{1-[1-(2-phenylethyl)-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-[(Cyclopentyl{1-[1-(2-phényléthyl)-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-[(Cyclopentyl{1-[1-(2-phenylethyl)-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 05300140 [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: 754.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±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: 5.52
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 816.45
ACD/KOC (pH 5.5): 3989.44
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 997.19
ACD/KOC (pH 7.4): 4872.61
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