2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Chemical Structure Depiction of
2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 3229-1828 |
| Compound Name: | 2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C25 H18 N2 O6 S2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(\C=C2/C(N(C(=S)S2)c2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1833 |
| logD: | 5.1833 |
| logSw: | -5.2561 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 77.307 |
| InChI Key: | VMVCJRDBZDEHKE-UHFFFAOYSA-N |