ChemSpider 2D Image | 2'-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6'-ethyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidine-5-carboxamide | C25H26Cl2N6O4

2'-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6'-ethyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidine-5-carboxamide

  • Molecular FormulaC25H26Cl2N6O4
  • Average mass545.418 Da
  • Monoisotopic mass544.139282 Da
  • ChemSpider ID35034965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[2,4'-Bipyrimidine]-5-carboxamide, 2'-[(1S,2S)-2-[[[(3,4-dichlorophenyl)methyl]amino]carbonyl]cyclohexyl]-6'-ethyl-1,6-dihydro-4-hydroxy-6-oxo- [ACD/Index Name]
2-[2-[(1s,2s)-2-[(3,4-Dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-Ethyl-Pyrimidin-4-Yl]-4-Oxidanyl-6-Oxidanylidene-1h-Pyrimidine-5-Carboxamide
2'-{(1S,2S)-2-[(3,4-Dichlorbenzyl)carbamoyl]cyclohexyl}-6'-ethyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
2'-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6'-ethyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidine-5-carboxamide [ACD/IUPAC Name]
2'-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6'-éthyl-4-hydroxy-6-oxo-1,6-dihydro-2,4'-bipyrimidine-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 347.6±7.0 cm3

Click to predict properties on the Chemicalize site


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