8-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
8-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0252 |
| Compound Name: | 8-methoxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 337.29 |
| Molecular Formula: | C17 H11 N3 O5 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0734 |
| logD: | 3.0728 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.876 |
| InChI Key: | KCQKLHDAPFPIAJ-UHFFFAOYSA-N |