2-ethoxy-5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-4-nitrobenzoate
2-ethoxy-5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 1015-0124 |
| Compound Name: | 2-ethoxy-5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C20 H16 N2 O6 S2 |
| Smiles: | CCOc1ccc(\C=C2/C(NC(=S)S2)=O)cc1OC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5223 |
| logD: | 2.1712 |
| logSw: | -4.0576 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.655 |
| InChI Key: | UEFWKPHBFXCLGQ-UHFFFAOYSA-N |