3-{3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
Chemical Structure Depiction of
3-{3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
3-{3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
Compound characteristics
| Compound ID: | 3793-4708 |
| Compound Name: | 3-{3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C23 H20 N2 O4 S2 |
| Smiles: | C/C(=C\c1ccccc1)/C=C1/C(N(CCC(Nc2cccc(c2)C(O)=O)=O)C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0785 |
| logD: | 2.1927 |
| logSw: | -4.6228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.978 |
| InChI Key: | QKKNIVQCIBWDPQ-UHFFFAOYSA-N |