methyl [1-(1H-benzimidazol-2-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1H-benzimidazol-2-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1H-benzimidazol-2-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-2036 |
| Compound Name: | methyl [1-(1H-benzimidazol-2-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C13 H12 N4 O3 |
| Smiles: | COC(CC1CC(N(c2nc3ccccc3[nH]2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6207 |
| logD: | 0.0785 |
| logSw: | -1.6523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.466 |
| InChI Key: | HSYSHRYYIQSMNT-UHFFFAOYSA-N |