1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-1385 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 502.68 |
| Molecular Formula: | C28 H34 N6 O S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0782 |
| logD: | 5.0523 |
| logSw: | -5.3994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.301 |
| InChI Key: | YUYAOWFFUUOLAY-UHFFFAOYSA-N |