3-(butylsulfanyl)-6-(4,5-dibromofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(4,5-dibromofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(4,5-dibromofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1946 |
| Compound Name: | 3-(butylsulfanyl)-6-(4,5-dibromofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 512.22 |
| Molecular Formula: | C18 H16 Br2 N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc(c(o3)[Br])[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6028 |
| logD: | 5.6028 |
| logSw: | -5.422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.456 |
| InChI Key: | XZEPJLFUVXEKJJ-INIZCTEOSA-N |