rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[3-(4-methylpiperazin-1-yl)propyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[3-(4-methylpiperazin-1-yl)propyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[3-(4-methylpiperazin-1-yl)propyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0888 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[3-(4-methylpiperazin-1-yl)propyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C23 H35 N5 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCCCN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.567 |
| logD: | -1.7715 |
| logSw: | -2.1713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.521 |
| InChI Key: | NDAMULKHQBIISN-JTAQYXEDSA-N |