2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
Compound ID: | 3584-1100 |
Compound Name: | 2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
Molecular Weight: | 466.51 |
Molecular Formula: | C18 H14 N2 O7 S3 |
Smiles: | CCOc1cc(\C=C2/C(NC(=S)S2)=O)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9653 |
logD: | 0.6141 |
logSw: | -2.8404 |
Hydrogen bond acceptors count: | 15 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 101.039 |
InChI Key: | HQOMJSOOEYMNIH-UHFFFAOYSA-N |