rel-(1R,3S,6R)-5-(benzenesulfonyl)-N-methyl-1-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N-methyl-1-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N-methyl-1-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
Compound characteristics
| Compound ID: | SC65-0872 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N-methyl-1-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-azaspiro[2.4]heptane-6-carboxamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C23 H28 N6 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.714 |
| logD: | 0.714 |
| logSw: | -2.5591 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.077 |
| InChI Key: | IDSUTNVQUNQWQK-YDHSSHFGSA-N |