ChemSpider 2D Image | 3-{[(2-Chlorobenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-quinolinone | C27H31ClN6O2

3-{[(2-Chlorobenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-quinolinone

  • Molecular FormulaC27H31ClN6O2
  • Average mass507.027 Da
  • Monoisotopic mass506.219696 Da
  • ChemSpider ID2451979

More details:

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

2(1H)-Quinolinone, 3-[[[(2-chlorophenyl)methyl][1-[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-6-methyl- [ACD/Index Name]
3-{[(2-Chlorbenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(2-Chlorobenzyl){1-[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-6-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(2-Chlorobenzyl){1-[1-(tetrahydro-2-furanylmethyl)-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 05304836 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 732.49
ACD/KOC (pH 5.5): 3896.03
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 741.90
ACD/KOC (pH 7.4): 3946.08
Polar Surface Area: 85 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 375.9±7.0 cm3

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