Basic information
- Standard SMILES
CC1CN(C(=O)C2CCC(F)(F)CC2)CCN1c1nnc(Cl)c2ccncc12- InChIKey
WAAQPVWGGNZEAM-UHFFFAOYSA-N- Molecular formula
- C19H22ClF2N5O
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1480944
Names & identifiers
- Preferred name
- [4-(1-Chloropyrido[3,4-d]pyridazin-4-yl)-3-methylpiperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
- IUPAC
- [4-(1-chloropyrido[3,4-d]pyridazin-4-yl)-3-methylpiperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
Names & synonyms
SCHEMBL3703472WAAQPVWGGNZEAM-UHFFFAOYSA-N[4-(1-Chloropyrido[3,4-d]pyridazin-4-yl)-3-methylpiperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
Database identifiers
- PubChem CID
- 76585153
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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