ChemSpider 2D Image | 3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2-quinolinol | C30H29FN6O3

3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2-quinolinol

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID62290365

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[[(1,3-benzodioxol-5-ylmethyl)[(1R)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-7-methyl- [ACD/Index Name]
2-Quinolinol, 3-[[(1,3-benzodioxol-5-ylmethyl)[(1R)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-7-methyl- [ACD/Index Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2-chinolinol [German] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylméthyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-7-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylméthyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-7-méthyl-2-quinoléinol [French] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){(1R)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-7-methyl-2-quinolinol [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1651.36
ACD/KOC (pH 5.5): 6916.66
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1666.85
ACD/KOC (pH 7.4): 6981.56
Polar Surface Area: 98 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 395.5±7.0 cm3

Click to predict properties on the Chemicalize site


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