3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0844 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(5-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C22 H17 Cl N4 O S2 |
| Smiles: | Cc1ccc(C2Nc3ccccc3c3c(nc(nn3)SCc3ccc(cc3)[Cl])O2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7324 |
| logD: | 5.7324 |
| logSw: | -6.0273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | XSAUCGROKWNDFS-FQEVSTJZSA-N |