{2-ethoxy-4-[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-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{2-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-3508 |
| Compound Name: | {2-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CCOc1cc(ccc1OCC(O)=O)C1Nc2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2234 |
| logD: | -1.0136 |
| logSw: | -3.6121 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.477 |
| InChI Key: | CNKAFFIFUZSNFQ-FQEVSTJZSA-N |