3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2,3-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2,3-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2,3-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0333 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2,3-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | COc1cccc(C2Nc3ccccc3c3c(nc(nn3)SCc3ccc(cc3)[Cl])O2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2663 |
| logD: | 5.2663 |
| logSw: | -5.8697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.373 |
| InChI Key: | FDPUCOWPNFHXAA-QHCPKHFHSA-N |