ChemSpider 2D Image | 3-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-quinolinone | C30H29FN6O3

3-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-quinolinone

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID2452076

More details:

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

2(1H)-Quinolinone, 3-[[(1,3-benzodioxol-5-ylmethyl)[1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-6-methyl- [ACD/Index Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylméthyl){1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-6-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05304982 [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: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±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: 6.08
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 745.86
ACD/KOC (pH 5.5): 3923.23
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 771.30
ACD/KOC (pH 7.4): 4057.07
Polar Surface Area: 94 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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