N-(4-fluorophenyl)-2-(2-{[(2-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-(2-{[(2-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
N-(4-fluorophenyl)-2-(2-{[(2-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2083 |
| Compound Name: | N-(4-fluorophenyl)-2-(2-{[(2-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 561.52 |
| Molecular Formula: | C22 H17 F2 N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | C(C1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccccc2F)S1)=O)C(Nc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1805 |
| logD: | -3.1178 |
| logSw: | -2.1873 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | WMWJSMYPUADHBY-UHFFFAOYSA-N |