4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Compound characteristics
Compound ID: | 3128-9295 |
Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate |
Molecular Weight: | 386.4 |
Molecular Formula: | C17 H10 N2 O5 S2 |
Smiles: | C(=C1/C(NC(=S)S1)=O)\c1ccc(cc1)OC(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.592 |
logD: | 1.2409 |
logSw: | -3.2318 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.659 |
InChI Key: | XCFMWXLBLMCKJP-UHFFFAOYSA-N |