rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~1~-ethyl-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~1~-ethyl-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~1~-ethyl-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0906 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~1~-ethyl-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(N(CC)Cc1cn(C)nc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3773 |
| logD: | 0.3773 |
| logSw: | -2.3413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.904 |
| InChI Key: | ZKVQXJKTLNOPIT-JTAQYXEDSA-N |