3-(methylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1348-1381 |
| Compound Name: | 3-(methylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C16 H13 N5 O S |
| Smiles: | [H]N1C(c2ccncc2)Oc2c(c3ccccc13)nnc(n2)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4713 |
| logD: | 2.4712 |
| logSw: | -2.7633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.726 |
| InChI Key: | HJTFIOULFYAEEG-AWEZNQCLSA-N |