6-(3-ethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-ethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-ethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0526 |
| Compound Name: | 6-(3-ethoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C26 H24 N4 O2 S |
| Smiles: | CCOc1cccc(c1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6361 |
| logD: | 5.6361 |
| logSw: | -5.5779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.15 |
| InChI Key: | PZKOORAGNPPYLA-DEOSSOPVSA-N |