2-(3-fluoro-4-methylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-(3-fluoro-4-methylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-(3-fluoro-4-methylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0441 |
| Compound Name: | 2-(3-fluoro-4-methylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C20 H28 F N3 O3 S |
| Smiles: | Cc1ccc(cc1F)C(N1CC2(C1)C(CCS2(=O)=O)CN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0385 |
| logD: | 0.184 |
| logSw: | -2.3631 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.106 |
| InChI Key: | KMDFRLFBOHUSHR-KRWDZBQOSA-N |