1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(quinolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(quinolin-2-yl)sulfanyl]ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(quinolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-5851 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(quinolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 421.6 |
| Molecular Formula: | C25 H31 N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSc1ccc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1247 |
| logD: | 5.0989 |
| logSw: | -5.9322 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.0032 |
| InChI Key: | MRQQVVPHEAWHFJ-UHFFFAOYSA-N |