2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-nitrophenol
Chemical Structure Depiction of
2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-nitrophenol
2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-nitrophenol
Compound characteristics
| Compound ID: | 4896-3026 |
| Compound Name: | 2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-nitrophenol |
| Molecular Weight: | 413.41 |
| Molecular Formula: | C18 H15 N5 O5 S |
| Smiles: | COc1cc(cc(c1O)[N+]([O-])=O)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1195 |
| logD: | 2.0533 |
| logSw: | -3.558 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.488 |
| InChI Key: | JAAYBASAFUIYJC-INIZCTEOSA-N |