10-bromo-3-(ethylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(ethylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(ethylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5704-0244 |
| Compound Name: | 10-bromo-3-(ethylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 429.34 |
| Molecular Formula: | C19 H17 Br N4 O S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3ccc(C)cc3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3878 |
| logD: | 5.3878 |
| logSw: | -5.5104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | GVHWWFAUNBYNCF-QGZVFWFLSA-N |