3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | C202-1935 |
| Compound Name: | 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid |
| Molecular Weight: | 539.52 |
| Molecular Formula: | C24 H21 N5 O8 S |
| Smiles: | COc1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2cccc(c2)C(O)=O)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0231 |
| logD: | -3.2751 |
| logSw: | -2.3141 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 156.182 |
| InChI Key: | AMVWKIPEFIFPSW-UHFFFAOYSA-N |