ChemSpider 2D Image | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-1H-pyrazole-4-carboxamide | C27H23Cl3N4O2

N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC27H23Cl3N4O2
  • Average mass541.856 Da
  • Monoisotopic mass540.088684 Da
  • ChemSpider ID24669738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3,4-dihydro-2,2-dimethyl-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl- [ACD/Index Name]
N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[(4R)-6-(4-Chlorophényl)-7-(2,4-dichlorophényl)-2,2-diméthyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[(4R)-6-(4-Chlorphenyl)-7-(2,4-dichlorphenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-yl]-3-methyl-1H-pyrazole-4-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25604.46
ACD/KOC (pH 5.5): 49776.45
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25610.87
ACD/KOC (pH 7.4): 49788.91
Polar Surface Area: 80 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 371.5±5.0 cm3

Click to predict properties on the Chemicalize site


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