Basic information
- Standard SMILES
CC1CN(c2nnc(Cl)c3ccncc23)CCN1C(=O)N1CCCCC1- InChIKey
PLDWAHLGSFWTTH-UHFFFAOYSA-N- Molecular formula
- C18H23ClN6O
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1621871
Names & identifiers
- Preferred name
- [4-(1-Chloropyrido[3,4-d]pyridazin-4-yl)-2-methylpiperazin-1-yl]-piperidin-1-ylmethanone
- IUPAC
- [4-(1-chloropyrido[3,4-d]pyridazin-4-yl)-2-methylpiperazin-1-yl]-piperidin-1-ylmethanone
Names & synonyms
SCHEMBL3691678
Database identifiers
- PubChem CID
- 76585156
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
3 records
Compound notes
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