3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4218 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C23 H18 F N5 O S |
| Smiles: | Cc1cccc(C2Nc3ccccc3c3c(nc(nn3)SCc3ccccc3F)O2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7685 |
| logD: | 4.7684 |
| logSw: | -4.5971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.448 |
| InChI Key: | WKEMMTMKQRJDEO-NRFANRHFSA-N |