6-ethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-ethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-ethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0162 |
| Compound Name: | 6-ethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | CCC1Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4802 |
| logD: | 4.4802 |
| logSw: | -4.3753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.646 |
| InChI Key: | ONQCXODQBOLSRN-KRWDZBQOSA-N |