2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-0874 |
| Compound Name: | 2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C17 H12 N2 O7 S3 |
| Smiles: | COc1cc(\C=C2/C(NC(=S)S2)=O)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8197 |
| logD: | 0.4685 |
| logSw: | -2.5418 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.459 |
| InChI Key: | ZRXWYPZAAIIAQQ-UHFFFAOYSA-N |