ChemSpider 2D Image | 7-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C25H27N7O5

7-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID2439055

More details:

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

1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-[[4-(4-hydroxyphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
7-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}[1,3]dioxolo[4,5-g]chinolin-6(5H)-on [German] [ACD/IUPAC Name]
7-{[4-(4-Hydroxyphényl)-1-pipérazinyl][1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]méthyl}[1,3]dioxolo[4,5-g]quinoléin-6(5H)-one [French] [ACD/IUPAC Name]
7-{[4-(4-Hydroxyphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one [ACD/IUPAC Name]

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

ASN 04423817 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 798.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 436.5±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 21.01
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.84
ACD/KOC (pH 7.4): 148.23
Polar Surface Area: 127 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 327.8±7.0 cm3

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