N,N-diethyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Chemical Structure Depiction of
N,N-diethyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
N,N-diethyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Compound characteristics
| Compound ID: | 4896-0167 |
| Compound Name: | N,N-diethyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4396 |
| logD: | 4.2456 |
| logSw: | -4.3828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.034 |
| InChI Key: | PBBQXLZGOFZIOY-IBGZPJMESA-N |