ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V008-0114 |
| Compound Name: | ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 518.41 |
| Molecular Formula: | C27 H24 Br N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)[Br])n(c2ccc(cc2)C(N(C)Cc2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9003 |
| logD: | 5.9003 |
| logSw: | -5.5361 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.966 |
| InChI Key: | PXFAEVGEIWGACE-UHFFFAOYSA-N |