6-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
6-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0254 |
| Compound Name: | 6-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 337.29 |
| Molecular Formula: | C17 H11 N3 O5 |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc3ccc(cc3[nH]2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1291 |
| logD: | 3.1285 |
| logSw: | -3.5628 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.105 |
| InChI Key: | MKKXTEBHLSCIMB-UHFFFAOYSA-N |