1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-1381 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 424.65 |
| Molecular Formula: | C19 H28 N4 O S3 |
| Smiles: | CSc1nc(SCC(N2CCN(CC2)C23CC4CC(CC(C4)C3)C2)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5819 |
| logD: | 4.556 |
| logSw: | -4.2814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 38.213 |
| InChI Key: | PGIJDDCQKMIQKA-UHFFFAOYSA-N |