ethyl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
ethyl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 5752-0101 |
| Compound Name: | ethyl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2ccc3c(c2)N(C)C(N3C)=O)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4375 |
| logD: | 2.3543 |
| logSw: | -2.8697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.198 |
| InChI Key: | MLTAZXJWHOHOPP-UHFFFAOYSA-N |