2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Chemical Structure Depiction of
2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | 3698-0021 |
| Compound Name: | 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5866 |
| logD: | 4.5824 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.447 |
| InChI Key: | KGFWQCRYNMUOSC-KRWDZBQOSA-N |