Tioperidone
3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione
| Molecular Formula | C25H32N4O2S |
|---|---|
| Molecular Weight | 452.6 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 81.2 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.2246 |
| Heavy Atoms | 32 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 52618-67-4 |
|---|---|
| SMILES | CCCSC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4NC3=O |
| InChIKey | CDNFCUXEJDEBEX-UHFFFAOYSA-N |
📖 Product Overview
Tioperidone (CAS: 52618-67-4) is a chemical compound with molecular formula C25H32N4O2S and molecular weight 452.6 g/mol. Its IUPAC systematic name is 3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione.
CDNFCUXEJDEBEX-UHFFFAOYSA-N.
SMILES: CCCSC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4NC3=O.
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