propan-2-yl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
propan-2-yl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 5752-0161 |
| Compound Name: | propan-2-yl 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C24 H24 N4 O4 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc3c(c2)N(C)C(N3C)=O)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6584 |
| logD: | 3.6584 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.704 |
| InChI Key: | DLBPCGWZWUCPHV-UHFFFAOYSA-N |