2-{[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
2-{[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
Compound ID: | 3232-1707 |
Compound Name: | 2-{[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
Molecular Weight: | 359.4 |
Molecular Formula: | C17 H10 F N O3 S2 |
Smiles: | C(=C1/C(N(C(=S)S1)c1ccc(cc1)F)=O)/c1ccccc1C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.7358 |
logD: | 0.0243 |
logSw: | -4.0591 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.239 |
InChI Key: | BNQMMOVZPNXQMA-UHFFFAOYSA-N |