6-(3-fluorophenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-fluorophenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-fluorophenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0687 |
| Compound Name: | 6-(3-fluorophenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C24 H19 F N4 O S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4cccc(c4)F)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3144 |
| logD: | 5.3144 |
| logSw: | -5.4221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | JAVLDAIXEKNXND-QFIPXVFZSA-N |