ethyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
ethyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 2368-1446 |
| Compound Name: | ethyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(/C=C2/C(NC(=S)S2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1892 |
| logD: | 2.4639 |
| logSw: | -3.3512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.319 |
| InChI Key: | MZCRRZKRFBYGSA-UHFFFAOYSA-N |