8-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2,5-dimethylphenyl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide
Chemical Structure Depiction of
8-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2,5-dimethylphenyl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide
8-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2,5-dimethylphenyl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide
Compound characteristics
| Compound ID: | S953-0136 |
| Compound Name: | 8-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2,5-dimethylphenyl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CC2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)CC1C(N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1828 |
| logD: | 3.1828 |
| logSw: | -3.2483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.299 |
| InChI Key: | KTMANKUZFBVZKR-JOCHJYFZSA-N |