4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-chlorobenzoate
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-chlorobenzoate
Compound characteristics
Compound ID: | 3229-0194 |
Compound Name: | 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-chlorobenzoate |
Molecular Weight: | 415.92 |
Molecular Formula: | C20 H14 Cl N O3 S2 |
Smiles: | C=CCN1C(/C(=C\c2ccc(cc2)OC(c2ccccc2[Cl])=O)SC1=S)=O |
Stereo: | ACHIRAL |
logP: | 5.1263 |
logD: | 5.1263 |
logSw: | -5.4475 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 37.07 |
InChI Key: | BIUUYGINKOTWNA-UHFFFAOYSA-N |