ChemSpider 2D Image | 3-(2-Chlorophenyl)-1-(cyclopropylmethyl)-6-(tetrahydro-3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one | C22H25ClN2OS

3-(2-Chlorophenyl)-1-(cyclopropylmethyl)-6-(tetrahydro-3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC22H25ClN2OS
  • Average mass400.965 Da
  • Monoisotopic mass400.137604 Da
  • ChemSpider ID22122793

More details:






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

1,6-Naphthyridin-2(1H)-one, 3-(2-chlorophenyl)-1-(cyclopropylmethyl)-5,6,7,8-tetrahydro-6-(tetrahydro-3-thienyl)- [ACD/Index Name]
3-(2-Chlorophenyl)-1-(cyclopropylmethyl)-6-(tetrahydro-3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
3-(2-Chlorophényl)-1-(cyclopropylméthyl)-6-(tétrahydro-3-thiophényl)-5,6,7,8-tétrahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-1-(cyclopropylmethyl)-6-(tetrahydro-3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
3-(2-chlorophenyl)-1-(cyclopropylmethyl)-6-(tetrahydro-3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 38.39
ACD/KOC (pH 5.5): 189.36
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 738.03
ACD/KOC (pH 7.4): 3640.75
Polar Surface Area: 49 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 298.5±5.0 cm3

Click to predict properties on the Chemicalize site






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