3-(5-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Chemical Structure Depiction of
3-(5-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
3-(5-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 8017-0561 |
| Compound Name: | 3-(5-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C22 H18 N2 O4 S2 |
| Smiles: | Cc1c(cccc1c1ccc(/C=C2/C(N(C(=S)S2)n2c(C)ccc2C)=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9821 |
| logD: | 1.4924 |
| logSw: | -4.3806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.533 |
| InChI Key: | DBXNRMKMCHSRRI-UHFFFAOYSA-N |