ChemSpider 2D Image | N-[1-(2,6-Dimethoxybenzyl)-4-piperidinyl]-4-sulfanylbutanamide | C18H28N2O3S

N-[1-(2,6-Dimethoxybenzyl)-4-piperidinyl]-4-sulfanylbutanamide

  • Molecular FormulaC18H28N2O3S
  • Average mass352.491 Da
  • Monoisotopic mass352.182068 Da
  • ChemSpider ID25059120

More details:

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

Butanamide, N-[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidinyl]-4-mercapto- [ACD/Index Name]
N-[1-(2,6-Dimethoxybenzyl)-4-piperidinyl]-4-sulfanylbutanamid [German] [ACD/IUPAC Name]
N-[1-(2,6-Dimethoxybenzyl)-4-piperidinyl]-4-sulfanylbutanamide [ACD/IUPAC Name]
N-[1-(2,6-Diméthoxybenzyl)-4-pipéridinyl]-4-sulfanylbutanamide [French] [ACD/IUPAC Name]
N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
F1I
N-{1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl}-4-sulfanylbutanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.63
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 11.55
ACD/KOC (pH 7.4): 156.22
Polar Surface Area: 90 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 305.1±5.0 cm3

Click to predict properties on the Chemicalize site


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