ChemSpider 2D Image | 1-{[2-Chloro-5-(1-piperidinylsulfonyl)phenyl]amino}-1-oxo-2-propanyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C23H28ClN3O6S

1-{[2-Chloro-5-(1-piperidinylsulfonyl)phenyl]amino}-1-oxo-2-propanyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID4199741

More details:

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

1-{[2-Chlor-5-(1-piperidinylsulfonyl)phenyl]amino}-1-oxo-2-propanyl-4-acetyl-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
1-{[2-Chloro-5-(1-piperidinylsulfonyl)phenyl]amino}-1-oxo-2-propanyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
4-Acétyl-3,5-diméthyl-1H-pyrrole-2-carboxylate de 1-{[2-chloro-5-(1-pipéridinylsulfonyl)phényl]amino}-1-oxo-2-propanyle [French] [ACD/IUPAC Name]

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

MLS000393945 [DBID]
SMR000247322 [DBID]

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: 1.598
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 326.99
ACD/KOC (pH 5.5): 2195.36
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.97
ACD/KOC (pH 7.4): 2195.24
Polar Surface Area: 134 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 371.4±3.0 cm3

Click to predict properties on the Chemicalize site


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