5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione
Chemical Structure Depiction of
5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione
5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione
Compound characteristics
| Compound ID: | F208-0435 |
| Compound Name: | 5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione |
| Molecular Weight: | 518.69 |
| Molecular Formula: | C28 H37 F3 N4 S |
| Smiles: | CC1(C)C(\C(=N/C23CC4CC(CC(C4)C3)C2)N(C1=S)c1cccc(c1)C(F)(F)F)N1CCN(C)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3783 |
| logD: | 6.1786 |
| logSw: | -5.9808 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 16.6308 |
| InChI Key: | NDLGZQOUHSGIGJ-OZZUTDSSSA-N |