methyl 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzamido]benzoate
methyl 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzamido]benzoate
Compound characteristics
| Compound ID: | IB08-7781 |
| Compound Name: | methyl 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzamido]benzoate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | Cc1cc(C)n(c2cccc(c2)C(Nc2ccc(cc2)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 3.17 |
| logSw: | -3.46 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.82 |
| InChI Key: | KYGNSZJHEUYDIT-UHFFFAOYSA-N |