3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0297 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C26 H21 Cl N4 O2 S |
| Smiles: | COc1ccc(/C=C/C2Nc3ccccc3c3c(nc(nn3)SCc3ccc(cc3)[Cl])O2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1533 |
| logD: | 6.1533 |
| logSw: | -6.4318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.918 |
| InChI Key: | JMTNTYVEUWYXDT-QHCPKHFHSA-N |