1-[6-(4-ethoxy-3-methylphenyl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-ethoxy-3-methylphenyl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(4-ethoxy-3-methylphenyl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-5155 |
| Compound Name: | 1-[6-(4-ethoxy-3-methylphenyl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1C)C1N(C(C)=O)c2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7545 |
| logD: | 4.7545 |
| logSw: | -4.7108 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.849 |
| InChI Key: | HZQHJOZNHNCOCJ-QHCPKHFHSA-N |