1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(5-methyl-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-methyl-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-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-1384 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C26 H32 N6 O S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.156 |
| logD: | 4.1302 |
| logSw: | -4.1826 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.133 |
| InChI Key: | JDGFBFLUFJCDME-UHFFFAOYSA-N |