4-[2-(2-{[(4-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
Chemical Structure Depiction of
4-[2-(2-{[(4-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
4-[2-(2-{[(4-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | C202-2028 |
| Compound Name: | 4-[2-(2-{[(4-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid |
| Molecular Weight: | 543.94 |
| Molecular Formula: | C23 H18 Cl N5 O7 S |
| Smiles: | C(C1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)[Cl])S1)=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3597 |
| logD: | -2.9385 |
| logSw: | -2.9253 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 148.638 |
| InChI Key: | QRJLZRRUCPYOJX-UHFFFAOYSA-N |