4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Chemical Structure Depiction of
4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-0180 |
| Compound Name: | 4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol |
| Molecular Weight: | 354.39 |
| Molecular Formula: | C17 H14 N4 O3 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c(c3)O)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5521 |
| logD: | 2.5188 |
| logSw: | -2.8472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.394 |
| InChI Key: | KFPWNPFOCWVYOS-HNNXBMFYSA-N |