ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-4-[(methylsulfonyl)amino]benzamide | C32H41N5O5S2

N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-4-[(methylsulfonyl)amino]benzamide

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID121092089

More details:

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

Benzamide, N-[2-[[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-4-[(methylsulfonyl)amino]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-4-[(methylsulfonyl)amino]benzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-4-[(methylsulfonyl)amino]benzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-méthoxyphényl)-2-(4-méthyl-1-pipérazinyl)éthyl]amino}-1-oxo-2-propanyl]-4-[(méthylsulfonyl)amino]benzamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.15
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 19.63
ACD/KOC (pH 7.4): 192.46
Polar Surface Area: 154 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 500.4±3.0 cm3

Click to predict properties on the Chemicalize site


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