8-methyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
8-methyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0260 |
| Compound Name: | 8-methyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C17 H11 N3 O4 |
| Smiles: | Cc1cccc2C=C(C(=O)Oc12)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7018 |
| logD: | 3.7012 |
| logSw: | -4.2376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.245 |
| InChI Key: | FRVDINRSXKOKRP-UHFFFAOYSA-N |