3-(benzylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5617-0233 |
| Compound Name: | 3-(benzylsulfanyl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H16 N4 O S2 |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(c3cccs3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4292 |
| logD: | 4.4292 |
| logSw: | -4.5166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | IFZWWUMVLPNTTE-IBGZPJMESA-N |