ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-oxo-1-[4-(1,3,5-triazin-2-yl)-1-piperidinyl]-2-propanyl}-4-chloro-3-nitrobenzamide | C25H25ClN6O4S

N-{3-(Benzylsulfanyl)-1-oxo-1-[4-(1,3,5-triazin-2-yl)-1-piperidinyl]-2-propanyl}-4-chloro-3-nitrobenzamide

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID122272313

More details:

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

Benzamide, 4-chloro-3-nitro-N-[2-oxo-1-[[(phenylmethyl)thio]methyl]-2-[4-(1,3,5-triazin-2-yl)-1-piperidinyl]ethyl]- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[4-(1,3,5-triazin-2-yl)-1-piperidinyl]-2-propanyl}-4-chlor-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[4-(1,3,5-triazin-2-yl)-1-piperidinyl]-2-propanyl}-4-chloro-3-nitrobenzamide [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[4-(1,3,5-triazin-2-yl)-1-pipéridinyl]-2-propanyl}-4-chloro-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: 1.644
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.10
ACD/KOC (pH 5.5): 879.33
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.15
ACD/KOC (pH 7.4): 879.79
Polar Surface Area: 159 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement