3-(methylsulfanyl)-6-{3-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-{3-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-{3-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4111 |
| Compound Name: | 3-(methylsulfanyl)-6-{3-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3cccc(c3)OCC=C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1705 |
| logD: | 4.1705 |
| logSw: | -4.3689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.715 |
| InChI Key: | KKOJOXQSQGVDJY-SFHVURJKSA-N |