1-[6-(2-methoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-methoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-methoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5511-0278 |
| Compound Name: | 1-[6-(2-methoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C20 H17 N5 O5 S |
| Smiles: | CC(N1C(c2cc(ccc2OC)[N+]([O-])=O)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2971 |
| logD: | 3.2971 |
| logSw: | -3.8241 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.651 |
| InChI Key: | HBTUNLDEXHVWHC-IBGZPJMESA-N |