(5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 4588-1712 |
| Compound Name: | (5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.5902 |
| logD: | -0.5287 |
| logSw: | -2.6787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.763 |
| InChI Key: | OSPPUGAZAZROEF-UHFFFAOYSA-N |