6-(2,3-dimethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2,3-dimethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2,3-dimethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4365 |
| Compound Name: | 6-(2,3-dimethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4cccc(c4OC)OC)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.095 |
| logD: | 5.095 |
| logSw: | -4.8994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.373 |
| InChI Key: | FFWNJGSWSQWPFD-DEOSSOPVSA-N |