methyl 4-{[1-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}benzoate
methyl 4-{[1-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 8016-4466 |
| Compound Name: | methyl 4-{[1-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}benzoate |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C18 H21 N3 O5 |
| Smiles: | CCOC(Cn1c(C)c(c(C)n1)NC(c1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2356 |
| logD: | 1.2312 |
| logSw: | -2.1762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.82 |
| InChI Key: | XNEPVIYBTNWFEJ-UHFFFAOYSA-N |