{2-ethoxy-4-[3-(pentylsulfanyl)-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-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{2-ethoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-3461 |
| Compound Name: | {2-ethoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)OCC)OCC(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9215 |
| logD: | 0.6845 |
| logSw: | -4.439 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.477 |
| InChI Key: | RJAIPWIGPGFJJS-QHCPKHFHSA-N |