ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide | C33H49N3O4S

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

  • Molecular FormulaC33H49N3O4S
  • Average mass583.825 Da
  • Monoisotopic mass583.344360 Da
  • ChemSpider ID121062094

More details:

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

Benzamide, 4-butoxy-3-ethoxy-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]-4-butoxy-3-ethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-piperidinyl)methyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[(1-isobutyl-4-pipéridinyl)méthyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-éthoxybenzamide [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: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 10.80
ACD/KOC (pH 5.5): 26.03
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 108.83
ACD/KOC (pH 7.4): 262.40
Polar Surface Area: 105 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 535.3±3.0 cm3

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