3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-1880 |
| Compound Name: | 3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COc1ccc(C2Nc3ccccc3c3c(nc(nn3)SC)O2)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.507 |
| logD: | 3.507 |
| logSw: | -3.8782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.362 |
| InChI Key: | ZKCHLWAFYYSTMI-SFHVURJKSA-N |