4-[10-bromo-3-(methylsulfanyl)-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-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | 4896-2761 |
| Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C19 H18 Br N5 O S |
| Smiles: | CN(C)c1ccc(cc1)C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6542 |
| logD: | 4.6456 |
| logSw: | -4.493 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.102 |
| InChI Key: | IOJYUWOASGRMKU-QGZVFWFLSA-N |