rel-(1R,3S,6R)-5-(methanesulfonyl)-N~6~-methyl-N~1~-{[4-(trifluoromethyl)phenyl]methyl}-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(methanesulfonyl)-N~6~-methyl-N~1~-{[4-(trifluoromethyl)phenyl]methyl}-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(methanesulfonyl)-N~6~-methyl-N~1~-{[4-(trifluoromethyl)phenyl]methyl}-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0727 |
| Compound Name: | rel-(1R,3S,6R)-5-(methanesulfonyl)-N~6~-methyl-N~1~-{[4-(trifluoromethyl)phenyl]methyl}-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 433.45 |
| Molecular Formula: | C18 H22 F3 N3 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(C)(=O)=O)C(NCc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5054 |
| logD: | 0.5054 |
| logSw: | -2.341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.984 |
| InChI Key: | RYTBFGIDHQKHGC-ZQIUZPCESA-N |