6-(4-methoxy-3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-methoxy-3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-methoxy-3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-6363 |
| Compound Name: | 6-(4-methoxy-3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[N+]([O-])=O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8838 |
| logD: | 3.8838 |
| logSw: | -4.0315 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.008 |
| InChI Key: | CYUJBLVGLZGINY-SFHVURJKSA-N |