4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline
Compound characteristics
| Compound ID: | 2049-1792 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C26 H33 N5 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)N(CCC)CCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7031 |
| logD: | 6.4905 |
| logSw: | -5.8781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.541 |
| InChI Key: | QUIKHXBAKFXXNT-DEOSSOPVSA-N |