3-{2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
3-{2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4299-0779 |
| Compound Name: | 3-{2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | Cc1cc(/C=C2/C(N(C)C(=O)S2)=O)c(C)n1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2616 |
| logD: | -1.3704 |
| logSw: | -3.2585 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.706 |
| InChI Key: | YJQHINYTKHRISI-UHFFFAOYSA-N |