3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
Chemical Structure Depiction of
3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | C202-1950 |
| Compound Name: | 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid |
| Molecular Weight: | 525.5 |
| Molecular Formula: | C23 H19 N5 O8 S |
| Smiles: | C(C1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)O)S1)=O)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.421 |
| logD: | -3.8773 |
| logSw: | -2.1801 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 166.255 |
| InChI Key: | REBVPQQONDEBJE-UHFFFAOYSA-N |