4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Chemical Structure Depiction of
4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Compound characteristics
| Compound ID: | 4896-1135 |
| Compound Name: | 4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)OC)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2446 |
| logD: | 3.2398 |
| logSw: | -3.3637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | OAHJAZSMXYCCBV-KRWDZBQOSA-N |