ChemSpider 2D Image | N-{2-[(Difluoromethyl)sulfanyl]phenyl}-4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinecarboxamide | C20H29F2N3O2S

N-{2-[(Difluoromethyl)sulfanyl]phenyl}-4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinecarboxamide

  • Molecular FormulaC20H29F2N3O2S
  • Average mass413.525 Da
  • Monoisotopic mass413.194855 Da
  • ChemSpider ID31816435

More details:

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

1-Piperidinecarboxamide, N-[2-[(difluoromethyl)thio]phenyl]-4-[(2,6-dimethyl-4-morpholinyl)methyl]- [ACD/Index Name]
N-{2-[(Difluormethyl)sulfanyl]phenyl}-4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{2-[(Difluoromethyl)sulfanyl]phenyl}-4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
N-{2-[(Difluorométhyl)sulfanyl]phényl}-4-[(2,6-diméthyl-4-morpholinyl)méthyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 14.30
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 60.22
ACD/KOC (pH 7.4): 538.18
Polar Surface Area: 70 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement