6-(3,5-dibromo-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3,5-dibromo-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3,5-dibromo-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0188 |
| Compound Name: | 6-(3,5-dibromo-2-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 538.26 |
| Molecular Formula: | C20 H18 Br2 N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cc(cc(c3OC)[Br])[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9813 |
| logD: | 5.9813 |
| logSw: | -5.6409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.014 |
| InChI Key: | WEKQSDAMMPDYSJ-SFHVURJKSA-N |