ChemSpider 2D Image | N-(3-Chloro-4-methoxyphenyl)-N~3~-[3-(dimethylamino)propyl]-N~3~-(methylsulfonyl)-beta-alaninamide | C16H26ClN3O4S

N-(3-Chloro-4-methoxyphenyl)-N3-[3-(dimethylamino)propyl]-N3-(methylsulfonyl)-β-alaninamide

  • Molecular FormulaC16H26ClN3O4S
  • Average mass391.913 Da
  • Monoisotopic mass391.133240 Da
  • ChemSpider ID47049364

More details:

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

N-(3-Chlor-4-methoxyphenyl)-N3-[3-(dimethylamino)propyl]-N3-(methylsulfonyl)-β-alaninamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-methoxyphenyl)-N3-[3-(dimethylamino)propyl]-N3-(methylsulfonyl)-β-alaninamide [ACD/IUPAC Name]
N-(3-Chloro-4-méthoxyphényl)-N3-[3-(diméthylamino)propyl]-N3-(méthylsulfonyl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-(3-chloro-4-methoxyphenyl)-3-[[3-(dimethylamino)propyl](methylsulfonyl)amino]- [ACD/Index 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: 1.559
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 87 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

Click to predict properties on the Chemicalize site


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