rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(thiophen-2-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-(thiophen-2-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(thiophen-2-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0926 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[2-(thiophen-2-yl)ethyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2168 |
| logD: | 1.2168 |
| logSw: | -2.3888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.08 |
| InChI Key: | KVAUNYHLXMLHGZ-WFXMLNOXSA-N |