Basic information
- CAS
338781-26-3- Standard SMILES
O=C(c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)N1CCOCC1- InChIKey
DOMPVWPZQYUBPW-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O3
- Average molar mass
- 367.2 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-dichlorobenzyl)-5-(morpholinocarbonyl)-2(1H)-pyridinone
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)pyridin-2-one
- English name
- 1-(3,4-DICHLOROBENZYL)-5-(MORPHOLINOCARBONYL)-2(1H)-PYRIDINONE
- Molecular formula
- C17H16Cl2N2O3
- Molecular weight
- 367.23
Names & synonyms
338781-26-31-(3,4-dichlorobenzyl)-5-(morpholinocarbonyl)-2(1H)-pyridinone1-[(3,4-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)pyridin-2-one1-[(3,4-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1,2-dihydropyridin-2-oneSMR000169236Oprea1_096257MLS000543267CHEMBL1604263HMS2425M08AKOS0050966316E-302S2(1H)-Pyridinone, 1-[(3,4-dichlorophenyl)methyl]-5-(4-morpholinylcarbonyl)-
Database identifiers
- CAS
338781-26-3- ChEMBL
CHEMBL1604263
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 596.5 · 596.5±50.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- -0.97 · -0.97±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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