ChemSpider 2D Image | 8-[(Cyclopentyl{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]butyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C30H36N6O3

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

  • Molecular FormulaC30H36N6O3
  • Average mass528.645 Da
  • Monoisotopic mass528.284912 Da
  • ChemSpider ID2454655

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]butyl]amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-[(Cyclopentyl{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]butyl}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]butyl}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]butyl}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 05382678 [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: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.3±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1498.41
ACD/KOC (pH 5.5): 6161.22
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1830.12
ACD/KOC (pH 7.4): 7525.17
Polar Surface Area: 94 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

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