ChemSpider 2D Image | 7-{[{1-[1-(4-Fluorobenzyl)-1H-tetrazol-5-yl]propyl}(2-phenylethyl)amino]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C30H29FN6O3

7-{[{1-[1-(4-Fluorobenzyl)-1H-tetrazol-5-yl]propyl}(2-phenylethyl)amino]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID2452292

More details:

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

1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-[[[1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl](2-phenylethyl)amino]methyl]- [ACD/Index Name]
7-{[{1-[1-(4-Fluorbenzyl)-1H-tetrazol-5-yl]propyl}(2-phenylethyl)amino]methyl}[1,3]dioxolo[4,5-g]chinolin-6(5H)-on [German] [ACD/IUPAC Name]
7-{[{1-[1-(4-Fluorobenzyl)-1H-tétrazol-5-yl]propyl}(2-phényléthyl)amino]méthyl}[1,3]dioxolo[4,5-g]quinoléin-6(5H)-one [French] [ACD/IUPAC Name]
7-{[{1-[1-(4-Fluorobenzyl)-1H-tetrazol-5-yl]propyl}(2-phenylethyl)amino]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 05305307 [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: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1008.60
ACD/KOC (pH 5.5): 4579.27
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1290.35
ACD/KOC (pH 7.4): 5858.51
Polar Surface Area: 94 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 396.3±7.0 cm3

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