2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2,4-dinitrobenzoate
2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 8007-7017 |
| Compound Name: | 2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C20 H15 N3 O8 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(C)C(=S)S2)=O)ccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5698 |
| logD: | 3.5698 |
| logSw: | -4.1269 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 110.616 |
| InChI Key: | MYSFWULYBYQNFF-UHFFFAOYSA-N |