3-{3-(4-bromophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Chemical Structure Depiction of
3-{3-(4-bromophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
3-{3-(4-bromophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Compound characteristics
| Compound ID: | 5237-0186 |
| Compound Name: | 3-{3-(4-bromophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid |
| Molecular Weight: | 497.37 |
| Molecular Formula: | C22 H17 Br N4 O3 S |
| Smiles: | C(Cn1cc(\C=C2/C(N(C(N2)=S)c2ccccc2)=O)c(c2ccc(cc2)[Br])n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8566 |
| logD: | 0.0364 |
| logSw: | -3.4154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.311 |
| InChI Key: | SOAGROCHRMDKQO-UHFFFAOYSA-N |