ChemSpider 2D Image | 3-[(Cyclohexyl{1-[1-(2-furylmethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino)methyl]-6-ethoxy-2(1H)-quinolinone | C28H36N6O3

3-[(Cyclohexyl{1-[1-(2-furylmethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino)methyl]-6-ethoxy-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID2455536

More details:

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

2(1H)-Quinolinone, 3-[[cyclohexyl[1-[1-(2-furanylmethyl)-1H-tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6-ethoxy- [ACD/Index Name]
3-[(Cyclohexyl{1-[1-(2-furylmethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino)methyl]-6-ethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[(Cyclohexyl{1-[1-(2-furylméthyl)-1H-tétrazol-5-yl]-2-méthylpropyl}amino)méthyl]-6-éthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[(Cyclohexyl{1-[1-(2-furylmethyl)-1H-tetrazol-5-yl]-2-methylpropyl}amino)methyl]-6-ethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05387825 [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: 734.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1315.56
ACD/KOC (pH 5.5): 5716.11
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1508.38
ACD/KOC (pH 7.4): 6553.89
Polar Surface Area: 98 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 388.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement