ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]-1-oxo-2-propanyl}-4-(4-morpholinyl)-3-nitrobenzamide | C29H35N7O5S

N-{3-(Benzylsulfanyl)-1-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]-1-oxo-2-propanyl}-4-(4-morpholinyl)-3-nitrobenzamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID122305432

More details:

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

Benzamide, N-[2-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-4-(4-morpholinyl)-3-nitro- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]-1-oxo-2-propanyl}-4-(4-morpholinyl)-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]-1-oxo-2-propanyl}-4-(4-morpholinyl)-3-nitrobenzamide [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[4-(3-méthyl-4H-1,2,4-triazol-4-yl)-1-pipéridinyl]-1-oxo-2-propanyl}-4-(4-morpholinyl)-3-nitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.51
ACD/KOC (pH 5.5): 1152.31
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.09
ACD/KOC (pH 7.4): 1165.96
Polar Surface Area: 164 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 422.5±7.0 cm3

Click to predict properties on the Chemicalize site


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