10-bromo-3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5183 |
| Compound Name: | 10-bromo-3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C21 H22 Br N5 O S |
| Smiles: | CCCCCCSc1nc2c(c3cc(ccc3NC(c3ccccn3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8914 |
| logD: | 5.8914 |
| logSw: | -5.4667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.345 |
| InChI Key: | PKLNFPHBKCLHNK-LJQANCHMSA-N |