6-(4-bromophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-bromophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-bromophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 8007-6885 |
| Compound Name: | 6-(4-bromophenyl)-3-(propylsulfanyl)-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: | CCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1964 |
| logD: | 5.1964 |
| logSw: | -5.1526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | VWMLYCZFWZEQGS-KRWDZBQOSA-N |