5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8017-2536 |
| Compound Name: | 5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 388.29 |
| Molecular Formula: | C15 H12 N6 O7 |
| Smiles: | CN1C(N(C)c2cc(c(/C=C/C3NC(C(=C(N=3)O)[N+]([O-])=O)=O)cc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9562 |
| logD: | -7.5519 |
| logSw: | -2.2408 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.136 |
| InChI Key: | HJCFSKSOGSILOO-UHFFFAOYSA-N |