ethyl {2-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Chemical Structure Depiction of
ethyl {2-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
ethyl {2-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Compound characteristics
| Compound ID: | 4896-2905 |
| Compound Name: | ethyl {2-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccccc3OCC(=O)OCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7354 |
| logD: | 5.7354 |
| logSw: | -5.3094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.042 |
| InChI Key: | CAQQOSRXTUYCSN-QHCPKHFHSA-N |