10-bromo-3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3395 |
| Compound Name: | 10-bromo-3-(methylsulfanyl)-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C17 H13 Br N4 O S |
| Smiles: | CSc1nc2c(c3cc(ccc3NC(c3ccccc3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5685 |
| logD: | 4.5685 |
| logSw: | -4.4544 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | QNRKQMLFSDYJBC-OAHLLOKOSA-N |