4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}phenyl 2-nitro-1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}phenyl 2-nitro-1-benzenesulfonate
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}phenyl 2-nitro-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0308 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}phenyl 2-nitro-1-benzenesulfonate |
| Molecular Weight: | 532.55 |
| Molecular Formula: | C25 H16 N4 O6 S2 |
| Smiles: | C(=C(/C#N)C(Nc1nc(cs1)c1ccccc1)=O)\c1ccc(cc1)OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5 |
| logD: | 5.49 |
| logSw: | -6.44 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 256.17 |
| InChI Key: | CQLSRKMDWXKERW-UHFFFAOYSA-N |