4-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methylphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methylphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid--acetic acid (1/1)
4-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methylphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2024 |
| Compound Name: | 4-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methylphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 583.58 |
| Molecular Formula: | C24 H21 N5 O7 S |
| Salt: | CH3COOH |
| Smiles: | Cc1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2ccc(cc2)C(O)=O)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1884 |
| logD: | -3.1098 |
| logSw: | -2.1857 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 148.638 |
| InChI Key: | WHLZJUKYBZYZPX-UHFFFAOYSA-N |