methyl 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
methyl 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 1013-0171 |
| Compound Name: | methyl 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C18 H13 N O3 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(N(C(=S)S2)c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.915 |
| logD: | 3.915 |
| logSw: | -4.2567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.005 |
| InChI Key: | DJPNZSHBSNJBID-UHFFFAOYSA-N |