rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-ethyl-N~6~-methyl-N~1~-[(pyridin-4-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-ethyl-N~6~-methyl-N~1~-[(pyridin-4-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-ethyl-N~6~-methyl-N~1~-[(pyridin-4-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0918 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-ethyl-N~6~-methyl-N~1~-[(pyridin-4-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(N(CC)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4775 |
| logD: | 0.4589 |
| logSw: | -2.1095 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.171 |
| InChI Key: | UGKBMAHZOOOWBK-JTAQYXEDSA-N |