3-(methylsulfanyl)-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-0128 |
| Compound Name: | 3-(methylsulfanyl)-6-(5-nitrofuran-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 357.35 |
| Molecular Formula: | C15 H11 N5 O4 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc([N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.674 |
| logD: | 2.674 |
| logSw: | -3.2746 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.958 |
| InChI Key: | NTXFPOMVERXHTG-ZDUSSCGKSA-N |