methyl 2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3584-0158 |
| Compound Name: | methyl 2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C17 H13 N O4 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(c3ccccc3C(=O)OC)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3066 |
| logD: | 3.3066 |
| logSw: | -3.8049 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 45.223 |
| InChI Key: | XXKYUSQTXNUDBF-UHFFFAOYSA-N |