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)-N-(4-methylphenyl)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
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)-N-(4-methylphenyl)acetamide--acetic acid (1/1)
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)-N-(4-methylphenyl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2084 |
| Compound Name: | 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)-N-(4-methylphenyl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 557.56 |
| Molecular Formula: | C23 H20 F N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | Cc1ccc(cc1)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccccc2F)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5748 |
| logD: | -2.7234 |
| logSw: | -2.3003 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | VIQCVPIHWWKKMN-UHFFFAOYSA-N |