4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Chemical Structure Depiction of
4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Compound characteristics
| Compound ID: | 6188-0076 |
| Compound Name: | 4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CCC(=O)Oc1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7942 |
| logD: | 3.7942 |
| logSw: | -3.9695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.352 |
| InChI Key: | LBRWHDUIWFXODD-SFHVURJKSA-N |