3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2673 |
| Compound Name: | 3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(c3ccccn3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9563 |
| logD: | 4.9563 |
| logSw: | -4.7283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.345 |
| InChI Key: | XRLCLUCOACWVBC-IBGZPJMESA-N |