rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[3-(1H-benzimidazol-2-yl)propyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[3-(1H-benzimidazol-2-yl)propyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[3-(1H-benzimidazol-2-yl)propyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0902 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[3-(1H-benzimidazol-2-yl)propyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCCCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4679 |
| logD: | 1.4602 |
| logSw: | -2.4591 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.343 |
| InChI Key: | XWEJXTAJRTVZKR-HMHJJOSWSA-N |