N,N-dimethyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Chemical Structure Depiction of
N,N-dimethyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
N,N-dimethyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Compound characteristics
| Compound ID: | 2040-0247 |
| Compound Name: | N,N-dimethyl-4-[3-(propylsulfanyl)-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: | CCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)N(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4526 |
| logD: | 4.444 |
| logSw: | -4.3891 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.102 |
| InChI Key: | YVEJUCSVKVSFOV-IBGZPJMESA-N |