4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | 4896-3657 |
| Compound Name: | 4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | CN(C)c1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9255 |
| logD: | 4.9169 |
| logSw: | -4.6246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.831 |
| InChI Key: | IWRNTRUANRBILT-QHCPKHFHSA-N |