rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(4-methylpiperazin-1-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(4-methylpiperazin-1-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(4-methylpiperazin-1-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0947 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(4-methylpiperazin-1-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C22 H33 N5 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCCN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6902 |
| logD: | -1.3577 |
| logSw: | -2.1767 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.521 |
| InChI Key: | NENUOUJPXBLJQC-DXIQSLLYSA-N |