methyl 4-{[2-(4-iodo-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-iodo-1H-pyrazol-1-yl)acetamido]methyl}benzoate
methyl 4-{[2-(4-iodo-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8017-7805 |
| Compound Name: | methyl 4-{[2-(4-iodo-1H-pyrazol-1-yl)acetamido]methyl}benzoate |
| Molecular Weight: | 399.19 |
| Molecular Formula: | C14 H14 I N3 O3 |
| Smiles: | COC(c1ccc(CNC(Cn2cc(cn2)I)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2475 |
| logD: | 2.2475 |
| logSw: | -2.5631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.389 |
| InChI Key: | HLHLYBMIPZICOJ-UHFFFAOYSA-N |