ChemSpider 2D Image | N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide | C22H21ClN4O4S2

N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide

  • Molecular FormulaC22H21ClN4O4S2
  • Average mass505.009 Da
  • Monoisotopic mass504.069275 Da
  • ChemSpider ID12263806

More details:

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

Benzamide, 4-chloro-N-[2-[5-(2-propen-1-ylthio)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-chlor-3-(1-pyrrolidinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide [ACD/IUPAC Name]
N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phényl}-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide [French] [ACD/IUPAC Name]
N-{2-[5-(Allylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-chloro-3-(pyrrolidin-1-ylsulfonyl)benzamide
4-chloro-N-{2-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(pyrrolidin-1-ylsulfonyl)benzamide
N-[2-(5-Allylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenyl]-4-chloro-3-(pyrrolidine-1-sulfonyl)-benzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1138.89
ACD/KOC (pH 5.5): 5363.26
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1138.81
ACD/KOC (pH 7.4): 5362.89
Polar Surface Area: 139 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

Click to predict properties on the Chemicalize site


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