ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-(4-methyl-1-piperidinyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | C29H32Cl2N4O2S

N-[3-(Benzylsulfanyl)-1-(4-methyl-1-piperidinyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

  • Molecular FormulaC29H32Cl2N4O2S
  • Average mass571.561 Da
  • Monoisotopic mass570.162292 Da
  • ChemSpider ID121697035

More details:

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

Cyclopenta[c]pyrazole-3-carboxamide, 1-(3,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-[2-(4-methyl-1-piperidinyl)-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-(4-methyl-1-piperidinyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(4-méthyl-1-pipéridinyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(4-methyl-1-piperidinyl)-1-oxo-2-propanyl]-1-(3,4-dichlorphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-carboxamid [German] [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: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 156.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 14006.99
ACD/KOC (pH 5.5): 28330.97
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 676.00
ACD/KOC (pH 7.4): 1367.30
Polar Surface Area: 93 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 414.0±7.0 cm3

Click to predict properties on the Chemicalize site


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