methyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
methyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3609-0199 |
| Compound Name: | methyl 4-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C18 H16 N2 O3 S2 |
| Smiles: | Cc1cc(\C=C2/C(NC(=S)S2)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6785 |
| logD: | 1.9532 |
| logSw: | -3.2084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.739 |
| InChI Key: | SBSYDSUAXFYGMG-UHFFFAOYSA-N |