3-{[(4-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3927 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H18 N4 O S2 |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4cccs4)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8526 |
| logD: | 4.8526 |
| logSw: | -4.603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | SDXQUUWBCCYYIA-FQEVSTJZSA-N |