6-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0253 |
| Compound Name: | 6-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | CC1=Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6516 |
| logD: | 3.6516 |
| logSw: | -4.0435 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.83 |
| InChI Key: | JHGFHOQUFYMTKT-UHFFFAOYSA-N |