3-{3-(3,4-dimethoxyphenyl)-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Chemical Structure Depiction of
3-{3-(3,4-dimethoxyphenyl)-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
3-{3-(3,4-dimethoxyphenyl)-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid
Compound characteristics
| Compound ID: | 6563-1065 |
| Compound Name: | 3-{3-(3,4-dimethoxyphenyl)-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrazol-1-yl}propanoic acid |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1c(/C=C2/C(NC(=N)S2)=O)cn(CCC(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.074 |
| logD: | -2.7462 |
| logSw: | -2.1644 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.189 |
| InChI Key: | RGJRHDUTZZCQDU-UHFFFAOYSA-N |