ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-3-isobutoxybenzamide | C31H45N3O3S

N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-3-isobutoxybenzamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID121096487

More details:

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

Benzamide, 3-(2-methylpropoxy)-N-[2-[[[1-(2-methylpropyl)-4-piperidinyl]methyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-3-isobutoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-3-isobutoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-pipéridinyl)méthyl]amino}-1-oxo-2-propanyl]-3-isobutoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 19.65
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 72.54
ACD/KOC (pH 7.4): 195.40
Polar Surface Area: 96 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 495.2±3.0 cm3

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