4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | Y070-0424 |
| Compound Name: | 4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C25 H18 N2 O5 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc(cc2)OC(c2cccc(c2)[N+]([O-])=O)=O)SC1=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4332 |
| logD: | 5.4332 |
| logSw: | -5.8547 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 70.18 |
| InChI Key: | SVKFEGJEFOJCBQ-UHFFFAOYSA-N |