4-[10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
4-[10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | 4896-4204 |
| Compound Name: | 4-[10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C21 H22 Br N5 O S |
| Smiles: | CCCSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)N(C)C)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3877 |
| logD: | 5.3791 |
| logSw: | -5.4939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.102 |
| InChI Key: | DPYWLKTWJLMHFQ-LJQANCHMSA-N |