3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-1904 |
| Compound Name: | 3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6334 |
| logD: | 3.6334 |
| logSw: | -3.9536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | IIFUEPHMJGNWLW-HNNXBMFYSA-N |