ethyl 2-{3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y010-1857 |
| Compound Name: | ethyl 2-{3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1n1c(C)cc(/C=C2/C(NC(=O)S2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7555 |
| logD: | 3.7483 |
| logSw: | -4.199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.316 |
| InChI Key: | MMUIQPBEWATPHE-UHFFFAOYSA-N |