ChemSpider 2D Image | 1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(2-methyl-2-propanyl)-4-piperidinyl]-1,6-naphthyridin-2(1H)-one | C29H27Cl2F2N3O

1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(2-methyl-2-propanyl)-4-piperidinyl]-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC29H27Cl2F2N3O
  • Average mass542.447 Da
  • Monoisotopic mass541.149902 Da
  • ChemSpider ID13095579

More details:

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

1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(2-methyl-2-propanyl)-4-piperidinyl]-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
1-(2,6-Dichlorophényl)-5-(2,4-difluorophényl)-7-[1-(2-méthyl-2-propanyl)-4-pipéridinyl]-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1-(2,6-Dichlorphenyl)-5-(2,4-difluorphenyl)-7-[1-(2-methyl-2-propanyl)-4-piperidinyl]-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(1,1-dimethylethyl)-4-piperidinyl]- [ACD/Index Name]
444661-71-6 [RN]
7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-1,6-naphthyridin-2(1H)-one
CHEMBL199625

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 50.77
ACD/KOC (pH 5.5): 77.15
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 237.04
ACD/KOC (pH 7.4): 360.20
Polar Surface Area: 36 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 410.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement