10-bromo-6-(2,5-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(2,5-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(2,5-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4176 |
| Compound Name: | 10-bromo-6-(2,5-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | CCCSc1nc2c(c3cc(ccc3NC(c3cc(ccc3OC)OC)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4477 |
| logD: | 5.4477 |
| logSw: | -5.5446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.472 |
| InChI Key: | WEJTVZHXDQFLET-LJQANCHMSA-N |