N-[1-(adamantan-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide
N-[1-(adamantan-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-1597 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 401.59 |
| Molecular Formula: | C23 H32 F N3 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(N1CCN(CC1)c1ccc(cc1)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3774 |
| logD: | 5.3761 |
| logSw: | -5.5757 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.9157 |
| InChI Key: | QSGOQJHKJZQOIX-LXGFQCHUSA-N |