{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-1161 |
| Compound Name: | {2-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccccc3OCC(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6119 |
| logD: | -0.6251 |
| logSw: | -3.7216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.267 |
| InChI Key: | GZASEYTTXJWHAO-SFHVURJKSA-N |