ChemSpider 2D Image | 7-{[Benzyl(3-pyridinylmethyl)amino](1-cyclopentyl-1H-tetrazol-5-yl)methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C30H29N7O3

7-{[Benzyl(3-pyridinylmethyl)amino](1-cyclopentyl-1H-tetrazol-5-yl)methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID2402599

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-cyclopentyl-1H-tetrazol-5-yl)[(phenylmethyl)(3-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
7-{[Benzyl(3-pyridinylmethyl)amino](1-cyclopentyl-1H-tetrazol-5-yl)methyl}[1,3]dioxolo[4,5-g]chinolin-6(5H)-on [German] [ACD/IUPAC Name]
7-{[Benzyl(3-pyridinylméthyl)amino](1-cyclopentyl-1H-tétrazol-5-yl)méthyl}[1,3]dioxolo[4,5-g]quinoléin-6(5H)-one [French] [ACD/IUPAC Name]
7-{[Benzyl(3-pyridinylmethyl)amino](1-cyclopentyl-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

BAS 04423970 [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: 767.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.2±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 304.76
ACD/KOC (pH 5.5): 2014.19
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.90
ACD/KOC (pH 7.4): 2279.50
Polar Surface Area: 107 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 370.5±7.0 cm3

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