ChemSpider 2D Image | 7-({[1-(1-Cyclopentyl-1H-tetrazol-5-yl)propyl](2-phenylethyl)amino}methyl)[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C28H32N6O3

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

  • Molecular FormulaC28H32N6O3
  • Average mass500.592 Da
  • Monoisotopic mass500.253601 Da
  • ChemSpider ID2452291

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-cyclopentyl-1H-tetrazol-5-yl)propyl](2-phenylethyl)amino]methyl]- [ACD/Index Name]
7-({[1-(1-Cyclopentyl-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-Cyclopentyl-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-Cyclopentyl-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 05305304 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 730.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 702.30
ACD/KOC (pH 5.5): 3508.45
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 921.42
ACD/KOC (pH 7.4): 4603.11
Polar Surface Area: 94 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 361.4±7.0 cm3

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