methyl 4-{2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-{2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
methyl 4-{2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Compound characteristics
| Compound ID: | 2531-0002 |
| Compound Name: | methyl 4-{2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate |
| Molecular Weight: | 460.48 |
| Molecular Formula: | C20 H16 N2 O7 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(c(c2)OC)Oc2ccc(cc2[N+]([O-])=O)C(=O)OC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6346 |
| logD: | 3.6346 |
| logSw: | -4.2679 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 85.285 |
| InChI Key: | WQFDRCTYWYCEOH-UHFFFAOYSA-N |