3-(methylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-0175 |
| Compound Name: | 3-(methylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C21 H15 N5 O4 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)[N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7244 |
| logD: | 4.7244 |
| logSw: | -4.6553 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.078 |
| InChI Key: | GZZLPOSGIIQTAO-IBGZPJMESA-N |