2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2,4-dimethylbenzoyl)-N-methyl-2,8-diazaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of
2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2,4-dimethylbenzoyl)-N-methyl-2,8-diazaspiro[4.5]decane-4-carboxamide
2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2,4-dimethylbenzoyl)-N-methyl-2,8-diazaspiro[4.5]decane-4-carboxamide
Compound characteristics
| Compound ID: | S952-5201 |
| Compound Name: | 2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2,4-dimethylbenzoyl)-N-methyl-2,8-diazaspiro[4.5]decane-4-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | Cc1ccc(C(N2CCC3(CC2)CN(CC3C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3316 |
| logD: | 3.3316 |
| logSw: | -3.4885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.192 |
| InChI Key: | PNYJWELESVQUMX-QHCPKHFHSA-N |