4-(adamantan-1-yl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(adamantan-1-yl)-N-(2-phenylethyl)piperazine-1-carbothioamide
4-(adamantan-1-yl)-N-(2-phenylethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8012-6971 |
| Compound Name: | 4-(adamantan-1-yl)-N-(2-phenylethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 383.6 |
| Molecular Formula: | C23 H33 N3 S |
| Smiles: | C(CNC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8664 |
| logD: | 4.0682 |
| logSw: | -4.8123 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.2525 |
| InChI Key: | FJDNIGBGUJFUDB-UHFFFAOYSA-N |