propan-2-yl 4-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}benzoate
propan-2-yl 4-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | 6228-1259 |
| Compound Name: | propan-2-yl 4-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(c1ccc(Cn2cc(cn2)[Br])cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1638 |
| logD: | 4.1597 |
| logSw: | -4.0437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.268 |
| InChI Key: | UHKPEZWFBHEWMS-UHFFFAOYSA-N |