8-[4-cyano-3-(trifluoromethyl)phenyl]-2-(1-methyl-1H-imidazole-4-sulfonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of
8-[4-cyano-3-(trifluoromethyl)phenyl]-2-(1-methyl-1H-imidazole-4-sulfonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
8-[4-cyano-3-(trifluoromethyl)phenyl]-2-(1-methyl-1H-imidazole-4-sulfonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
Compound characteristics
| Compound ID: | S953-0054 |
| Compound Name: | 8-[4-cyano-3-(trifluoromethyl)phenyl]-2-(1-methyl-1H-imidazole-4-sulfonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide |
| Molecular Weight: | 496.51 |
| Molecular Formula: | C21 H23 F3 N6 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CC2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)CC1C(N)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7178 |
| logD: | 0.7178 |
| logSw: | -2.4891 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.427 |
| InChI Key: | JWQPDHYRVBNWFT-KRWDZBQOSA-N |