6-(2-chlorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-chlorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-chlorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5511-0350 |
| Compound Name: | 6-(2-chlorophenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 382.87 |
| Molecular Formula: | C19 H15 Cl N4 O S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccccc3[Cl])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8351 |
| logD: | 4.8351 |
| logSw: | -4.9488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | DWGYGBPQDSIWBY-KRWDZBQOSA-N |