ChemSpider 2D Image | 2-Oxo-2-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate | C27H29ClN4O5S

2-Oxo-2-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID3447478

More details:

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

2-Oxo-2-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
2-Oxo-2-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}ethyl-3-[1-(2-chlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl]-, 2-oxo-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]amino]ethyl ester [ACD/Index Name]
3-[1-(2-Chlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]acrylate de 2-oxo-2-{[4-(1-pyrrolidinylsulfonyl)phényl]amino}éthyle [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: 1.636
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1341.97
ACD/KOC (pH 5.5): 6031.06
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1342.38
ACD/KOC (pH 7.4): 6032.91
Polar Surface Area: 119 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 412.4±7.0 cm3

Click to predict properties on the Chemicalize site


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