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

N-[1-(1-Azepanyl)-3-(benzylsulfanyl)-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 ID121695916

More details:

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

Cyclopenta[c]pyrazole-3-carboxamide, 1-(3,4-dichlorophenyl)-N-[2-(hexahydro-1H-azepin-1-yl)-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-1,4,5,6-tetrahydro- [ACD/Index Name]
N-[1-(1-Azepanyl)-3-(benzylsulfanyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide [ACD/IUPAC Name]
N-[1-(1-Azépanyl)-3-(benzylsulfanyl)-1-oxo-2-propanyl]-1-(3,4-dichlorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[1-(1-Azepanyl)-3-(benzylsulfanyl)-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: 744.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.2±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 37772.99
ACD/KOC (pH 5.5): 57622.80
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 1822.35
ACD/KOC (pH 7.4): 2780.00
Polar Surface Area: 93 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

Click to predict properties on the Chemicalize site


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