2-[(2-methylphenyl)acetyl]-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-[(2-methylphenyl)acetyl]-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-[(2-methylphenyl)acetyl]-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0458 |
| Compound Name: | 2-[(2-methylphenyl)acetyl]-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | Cc1ccccc1CC(N1CC2(C1)C(CCS2(=O)=O)CN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5206 |
| logD: | 0.6661 |
| logSw: | -2.2615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.579 |
| InChI Key: | IXHYSIMHVJPTIN-IBGZPJMESA-N |