3-{2-[(5-{[acetyl(phenyl)amino]methylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(5-{[acetyl(phenyl)amino]methylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl}propane-1-sulfonate
3-{2-[(5-{[acetyl(phenyl)amino]methylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 0081-0021 |
| Compound Name: | 3-{2-[(5-{[acetyl(phenyl)amino]methylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl}propane-1-sulfonate |
| Molecular Weight: | 571.74 |
| Molecular Formula: | C27 H29 N3 O5 S3 |
| Smiles: | CCN1/C(=C\C2=[N+](CCCS([O-])(=O)=O)C(CS2)c2ccccc2)SC(=C\N(C(C)=O)c2ccccc2)\C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3518 |
| logD: | 2.3518 |
| logSw: | -2.4891 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.15 |
| InChI Key: | HJQHJGZQRIRYQO-QHCPKHFHSA-N |