1-[3-(hexylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(hexylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(hexylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-5076 |
| Compound Name: | 1-[3-(hexylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 372.49 |
| Molecular Formula: | C19 H24 N4 O2 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3N(C(C)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5176 |
| logD: | 4.5176 |
| logSw: | -4.5255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.549 |
| InChI Key: | QDMAPMLSMWYAFI-AWEZNQCLSA-N |