4-Acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
Basic information
- CAS
75644-16-5- Standard SMILES
CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCNC(C)C)c1=O- InChIKey
FKWKCSOALDWNOO-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2N3O2
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.1167324
Names & identifiers
- Preferred name
- 4-Acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
- IUPAC
- 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
Names & synonyms
75644-16-5NSC3516484-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-oneCHEMBL31569SCHEMBL11161774DTXSID40319906NSC-3516484-Acetyl-5,6-bis(4-chlorophenyl)-2-{2-[(propan-2-yl)amino]ethyl}pyridazin-3(2H)-one
Database identifiers
- CAS
75644-16-5- PubChem CID
- 336676
- DTXSID
DTXSID40319906- ChEMBL
CHEMBL31569
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…