ChemSpider 2D Image | Ethyl (1-{[(2-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}ethyl)carbamoyl]amino}cyclohexyl)acetate | C25H39N3O5S

Ethyl (1-{[(2-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}ethyl)carbamoyl]amino}cyclohexyl)acetate

  • Molecular FormulaC25H39N3O5S
  • Average mass493.659 Da
  • Monoisotopic mass493.261047 Da
  • ChemSpider ID28375850

More details:

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

(1-{[(2-{1-[(4-Méthylphényl)sulfonyl]-4-pipéridinyl}éthyl)carbamoyl]amino}cyclohexyl)acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[[[[2-[1-[(4-methylphenyl)sulfonyl]-4-piperidinyl]ethyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl (1-{[(2-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}ethyl)carbamoyl]amino}cyclohexyl)acetate [ACD/IUPAC Name]
Ethyl-(1-{[(2-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}ethyl)carbamoyl]amino}cyclohexyl)acetat [German] [ACD/IUPAC Name]
ethyl 2-[1-({[(2-{1-[(4-methylphenyl)sulfonyl]-4-piperidyl}ethyl)amino]carbonyl}amino)cyclohexyl]acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 972.06
ACD/KOC (pH 5.5): 4788.40
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 972.05
ACD/KOC (pH 7.4): 4788.38
Polar Surface Area: 113 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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