10-bromo-3-(butylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(butylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(butylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3892 |
| Compound Name: | 10-bromo-3-(butylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C20 H20 Br N5 O S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(c3cccc(C)n3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3507 |
| logD: | 5.3507 |
| logSw: | -5.3916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.72 |
| InChI Key: | IKLQEWRVGIOJMN-GOSISDBHSA-N |