(5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 4371-6165 |
| Compound Name: | (5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | CCc1ccc(cc1)n1c(C)cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.0975 |
| logD: | -0.0215 |
| logSw: | -3.033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.763 |
| InChI Key: | KASNXRSOFYDPSL-UHFFFAOYSA-N |