2-(2,4-dimethylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-(2,4-dimethylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-(2,4-dimethylbenzoyl)-8-[(4-methylpiperazin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0431 |
| Compound Name: | 2-(2,4-dimethylbenzoyl)-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: | Cc1ccc(C(N2CC3(C2)C(CCS3(=O)=O)CN2CCN(C)CC2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4777 |
| logD: | 0.6232 |
| logSw: | -2.4776 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.106 |
| InChI Key: | KFMLUUTXERFADO-SFHVURJKSA-N |