N-{2-[5-Acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]ethyl}acetamide
Basic information
- CAS
75644-15-4- Standard SMILES
CC(=O)NCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O- InChIKey
MRNCVBMIYREAFP-UHFFFAOYSA-N- Molecular formula
- C22H19Cl2N3O3
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.0803469
Names & identifiers
- Preferred name
- N-{2-[5-Acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]ethyl}acetamide
- IUPAC
- N-[2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
Names & synonyms
75644-15-4NSC351643CHEMBL282764SCHEMBL11159124DTXSID00319902NSC-351643N-{2-[5-Acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]ethyl}acetamide
Database identifiers
- CAS
75644-15-4- PubChem CID
- 336672
- DTXSID
DTXSID00319902- ChEMBL
CHEMBL282764
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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