ChemSpider 2D Image | 8-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C27H32N6O5

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

  • Molecular FormulaC27H32N6O5
  • Average mass520.580 Da
  • Monoisotopic mass520.243408 Da
  • ChemSpider ID2450778

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 2,3-dihydro-8-[[[1-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]propyl][(4-methoxyphenyl)methyl]amino]methyl]- [ACD/Index Name]
8-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-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-{[(4-Méthoxybenzyl){1-[1-(2-méthoxyéthyl)-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-{[(4-Methoxybenzyl){1-[1-(2-methoxyethyl)-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 05300153 [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: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 91.23
ACD/KOC (pH 5.5): 870.73
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.77
ACD/KOC (pH 7.4): 904.54
Polar Surface Area: 113 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 385.1±7.0 cm3

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