2-methoxy-6-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Chemical Structure Depiction of
2-methoxy-6-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
2-methoxy-6-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Compound characteristics
| Compound ID: | 5511-0473 |
| Compound Name: | 2-methoxy-6-nitro-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C20 H17 N5 O5 S |
| Smiles: | COc1cc(cc(c1O)[N+]([O-])=O)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7787 |
| logD: | 2.7126 |
| logSw: | -3.9413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.488 |
| InChI Key: | GZFAXSGIDSCBKH-SFHVURJKSA-N |