(4-oxo-5-{[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(4-oxo-5-{[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(4-oxo-5-{[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | C358-2517 |
| Compound Name: | (4-oxo-5-{[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C18 H12 N4 O3 S3 |
| Smiles: | C(C(O)=O)N1C(/C(=C/c2cccn2c2nnc(c3ccccc3)s2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6774 |
| logD: | -0.4416 |
| logSw: | -2.8811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.675 |
| InChI Key: | AALFWRWRMMQAEO-UHFFFAOYSA-N |