ChemSpider 2D Image | 4-{[({4-[2-({[3-(~2~H_5_)Ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}amino)ethyl]phenyl}sulfonyl)carbamoyl]amino}cyclohexanecarboxylic acid | C24H27D5N4O7S

4-{[({4-[2-({[3-(2H5)Ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}amino)ethyl]phenyl}sulfonyl)carbamoyl]amino}cyclohexanecarboxylic acid

  • Molecular FormulaC24H27D5N4O7S
  • Average mass525.629 Da
  • Monoisotopic mass525.230530 Da
  • ChemSpider ID77450842

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{[({4-[2-({[3-(2H5)Ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}amino)ethyl]phenyl}sulfonyl)carbamoyl]amino}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-{[({4-[2-({[3-(2H5)Ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}amino)ethyl]phenyl}sulfonyl)carbamoyl]amino}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-{[({4-[2-({[3-(2H5)éthyl-4-méthyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}amino)éthyl]phényl}sulfonyl)carbamoyl]amino}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[[[4-[2-[[[3-(ethyl-d5)-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl]carbonyl]amino]ethyl]phenyl]sulfonyl]amino]carbonyl]amino]- [ACD/Index 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: 1.621
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.22
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 372.8±5.0 cm3

Click to predict properties on the Chemicalize site


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