Basic information
- CAS
75643-73-1- Standard SMILES
CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C(C)CO)c1=O- InChIKey
VCXLMEHFCKQBTQ-UHFFFAOYSA-N- Molecular formula
- C21H18Cl2N2O3
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.0694478
Names & identifiers
- Preferred name
- 4-Acetyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3-one
- IUPAC
- 4-acetyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3-one
Names & synonyms
75643-73-1NSC3515084-acetyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3-oneCHEMBL31807SCHEMBL11167110DTXSID50319871NSC-3515084-Acetyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3(2H)-one
Database identifiers
- CAS
75643-73-1- PubChem CID
- 336606
- DTXSID
DTXSID50319871- ChEMBL
CHEMBL31807
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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