methyl 5-[2-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}(oxo)acetamido]-2-hydroxybenzoate
Chemical Structure Depiction of
methyl 5-[2-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}(oxo)acetamido]-2-hydroxybenzoate
methyl 5-[2-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}(oxo)acetamido]-2-hydroxybenzoate
Compound characteristics
| Compound ID: | IB05-1186 |
| Compound Name: | methyl 5-[2-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}(oxo)acetamido]-2-hydroxybenzoate |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C18 H22 N4 O5 |
| Smiles: | CCn1c(C)c(CNC(C(Nc2ccc(c(c2)C(=O)OC)O)=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.78 |
| logD: | 1.57 |
| logSw: | -2.77 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 161.37 |
| InChI Key: | NJICCODVUQXGGF-UHFFFAOYSA-N |