{2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-1896 |
| Compound Name: | {2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | COc1cc(ccc1OCC(O)=O)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6775 |
| logD: | -1.5595 |
| logSw: | -3.2423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.897 |
| InChI Key: | JPGNJVSHOVCPPV-SFHVURJKSA-N |