10-bromo-3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3587 |
| Compound Name: | 10-bromo-3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C20 H19 Br N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9024 |
| logD: | 5.9024 |
| logSw: | -5.6741 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | DFBVLBHKBFTSJY-GOSISDBHSA-N |