ChemSpider 2D Image | (1R,2R)-N-(3,4-Dichlorobenzyl)-2-(4,6-dimethoxy-2-pyrimidinyl)cyclohexanecarboxamide | C20H23Cl2N3O3

(1R,2R)-N-(3,4-Dichlorobenzyl)-2-(4,6-dimethoxy-2-pyrimidinyl)cyclohexanecarboxamide

  • Molecular FormulaC20H23Cl2N3O3
  • Average mass424.321 Da
  • Monoisotopic mass423.111633 Da
  • ChemSpider ID35034966
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-N-(3,4-Dichlorbenzyl)-2-(4,6-dimethoxy-2-pyrimidinyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-N-(3,4-Dichlorobenzyl)-2-(4,6-dimethoxy-2-pyrimidinyl)cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-(3,4-Dichlorobenzyl)-2-(4,6-diméthoxy-2-pyrimidinyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
(1r,2r)-N-(3,4-Dichlorobenzyl)-2-(4,6-Dimethoxypyrimidin-2-Yl)cyclohexanecarboxamide
Cyclohexanecarboxamide, N-[(3,4-dichlorophenyl)methyl]-2-(4,6-dimethoxy-2-pyrimidinyl)-, (1R,2R)- [ACD/Index Name]
2W5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.90
ACD/KOC (pH 5.5): 3397.48
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.03
ACD/KOC (pH 7.4): 3398.24
Polar Surface Area: 73 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

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