Basic information
- CAS
774604-92-1- Standard SMILES
CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1- InChIKey
HYJLIXWTCISMIN-UHFFFAOYSA-N- Molecular formula
- C22H23Cl2N3O2
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 431.1167324
Names & identifiers
- Preferred name
- 3-(2,6-Dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-ethyl-4-isoxazolecarboxamide
- IUPAC
- 3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
Names & synonyms
CHEMBL363896SCHEMBL3637758DTXSID901134439BDBM501535383-(2,6-Dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-ethyl-4-isoxazolecarboxamide774604-92-13-(2,6-Dichloro-phenyl)-5-ethyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
Database identifiers
- CAS
774604-92-1- PubChem CID
- 11626181
- DTXSID
DTXSID901134439- ChEMBL
CHEMBL363896
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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