ChemSpider 2D Image | 8-Chloro-1-(2,4-dichlorophenyl)-N-[(2R)-tetrahydro-2-furanylmethyl]-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide | C24H22Cl3N3O2

8-Chloro-1-(2,4-dichlorophenyl)-N-[(2R)-tetrahydro-2-furanylmethyl]-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide

  • Molecular FormulaC24H22Cl3N3O2
  • Average mass490.809 Da
  • Monoisotopic mass489.077759 Da
  • ChemSpider ID76775971

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

8-Chlor-1-(2,4-dichlorphenyl)-N-[(2R)-tetrahydro-2-furanylmethyl]-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
8-Chloro-1-(2,4-dichlorophenyl)-N-[(2R)-tetrahydro-2-furanylmethyl]-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide [ACD/IUPAC Name]
8-Chloro-1-(2,4-dichlorophényl)-N-[(2R)-tétrahydro-2-furanylméthyl]-1,4,5,6-tétrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-[[(2R)-tetrahydro-2-furanyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10731.55
ACD/KOC (pH 5.5): 26713.87
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10727.99
ACD/KOC (pH 7.4): 26705.02
Polar Surface Area: 56 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

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