1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(5-propyl-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-propyl-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-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 8017-1965 |
Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 504.7 |
Molecular Formula: | C28 H36 N6 O S |
Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
Stereo: | ACHIRAL |
logP: | 5.3238 |
logD: | 5.298 |
logSw: | -5.5872 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.301 |
InChI Key: | QFAVLZIICFFIJZ-UHFFFAOYSA-N |