3-{3-(4-chlorophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Chemical Structure Depiction of
3-{3-(4-chlorophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
3-{3-(4-chlorophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Compound characteristics
| Compound ID: | 5237-0086 |
| Compound Name: | 3-{3-(4-chlorophenyl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C22 H17 Cl N4 O3 S |
| Smiles: | C(Cn1cc(\C=C2/C(N(C(N2)=S)c2ccccc2)=O)c(c2ccc(cc2)[Cl])n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6175 |
| logD: | -0.2028 |
| logSw: | -3.504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.311 |
| InChI Key: | DDKVGPPRBPAMOX-UHFFFAOYSA-N |