ethyl 4-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]benzoate
ethyl 4-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-7643 |
| Compound Name: | ethyl 4-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 427.24 |
| Molecular Formula: | C16 H18 I N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C)c(c(C)n1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8314 |
| logD: | 2.8313 |
| logSw: | -3.058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.423 |
| InChI Key: | NYRZHSQJSQSCAT-UHFFFAOYSA-N |