4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Compound characteristics
| Compound ID: | 4896-1616 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C24 H29 N5 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)N(CC)CC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8573 |
| logD: | 5.6633 |
| logSw: | -5.6145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.034 |
| InChI Key: | LLEOTASCIBBAOE-QFIPXVFZSA-N |