ChemSpider 2D Image | 8-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C33H34N6O6

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

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID2454264

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 8-[[(1,3-benzodioxol-5-ylmethyl)[1-[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]-2-methylpropyl]amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7(6H)-on [German] [ACD/IUPAC Name]
8-{[(1,3-Benzodioxol-5-ylméthyl){1-[1-(4-méthoxybenzyl)-1H-tétrazol-5-yl]-2-méthylpropyl}amino]méthyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7(6H)-one [French] [ACD/IUPAC Name]
8-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]-2-methylpropyl}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 05379464 [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: 816.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 164.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1143.70
ACD/KOC (pH 5.5): 5343.26
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1170.71
ACD/KOC (pH 7.4): 5469.44
Polar Surface Area: 122 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 430.6±7.0 cm3

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