rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0882 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~6~-methyl-N~1~-[(5-methyl-1H-benzimidazol-2-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCc1nc2cc(C)ccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5208 |
| logD: | 1.5205 |
| logSw: | -2.642 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.502 |
| InChI Key: | GLWRWQCFUYAYMV-REIDKSKDSA-N |