Basic information
- CAS
23338-41-2- Standard SMILES
O=c1c(-c2cccc(Cl)c2)cc(-c2ccccc2)nn1Cc1ccncc1- InChIKey
OLULWABCMGZANK-UHFFFAOYSA-N- Molecular formula
- C22H16ClN3O
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.0981898
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 4-(m-chlorophenyl)-6-phenyl-2-(4-pyridylmethyl)-
- IUPAC
- 4-(3-chlorophenyl)-6-phenyl-2-(pyridin-4-ylmethyl)pyridazin-3-one
Names & synonyms
23338-41-2RefChem:2695544-(m-Chlorophenyl)-6-phenyl-2-(4-pyridylmethyl)-3(2H)-pyridazinone3(2H)-Pyridazinone, 4-(m-chlorophenyl)-6-phenyl-2-(4-pyridylmethyl)-4-(m-Chlorophenyl)-6-phenyl-2-(4-pyridylmethyl) -3(2H)-pyridazinoneDTXSID709460023(2H)-Pyridazinone, 4-(m-chlorophenyl)-6-phenyl-2-(4-pyridylmethyl) -4-(3-Chlorophenyl)-6-phenyl-2-[(pyridin-4-yl)methyl]pyridazin-3(2H)-one
Database identifiers
- CAS
23338-41-2- PubChem CID
- 211528
- DTXSID
DTXSID70946002
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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