N-Methylketanserin
Basic information
- CAS
76315-77-0- Standard SMILES
Cn1c(=O)n(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(=O)c2ccccc21- InChIKey
RXXNWPMGUQHBNZ-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.1801698
Names & identifiers
- Preferred name
- N-Methylketanserin
- IUPAC
- 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methylquinazoline-2,4-dione
Names & synonyms
N-MethylketanserinM2T3397GVEUNII-M2T3397GVE76315-77-02,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-1-methyl-RefChem:202190methylketanserin
Database identifiers
- CAS
76315-77-0- PubChem CID
- 10409239
- UNII
- M2T3397GVE
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
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Compound notes
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