8-[(4-methylpiperazin-1-yl)methyl]-5,5-dioxo-N-(2-phenylethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-2-carboxamide
Chemical Structure Depiction of
8-[(4-methylpiperazin-1-yl)methyl]-5,5-dioxo-N-(2-phenylethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-2-carboxamide
8-[(4-methylpiperazin-1-yl)methyl]-5,5-dioxo-N-(2-phenylethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-2-carboxamide
Compound characteristics
| Compound ID: | SC89-0404 |
| Compound Name: | 8-[(4-methylpiperazin-1-yl)methyl]-5,5-dioxo-N-(2-phenylethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-2-carboxamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C21 H32 N4 O3 S |
| Smiles: | CN1CCN(CC1)CC1CCS(C12CN(C2)C(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8951 |
| logD: | 0.0406 |
| logSw: | -2.2819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.09 |
| InChI Key: | YWOBHNVUZDJXGD-IBGZPJMESA-N |