8-ethoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
8-ethoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0259 |
| Compound Name: | 8-ethoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.32 |
| Molecular Formula: | C18 H13 N3 O5 |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5909 |
| logD: | 3.5902 |
| logSw: | -3.9237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.456 |
| InChI Key: | LRSJJABMEXKQNW-UHFFFAOYSA-N |