8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-(pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of
8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-(pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-(pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
Compound characteristics
| Compound ID: | S953-0277 |
| Compound Name: | 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-(pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C23 H23 F3 N6 O2 |
| Smiles: | CNC(C1CC2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)CN1C(c1cncnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6539 |
| logD: | 0.6539 |
| logSw: | -2.0533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | YTIZZPDVIQCTJW-LJQANCHMSA-N |