4-{2-[2-({[4-(dimethylamino)phenyl](6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[2-({[4-(dimethylamino)phenyl](6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
4-{2-[2-({[4-(dimethylamino)phenyl](6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | C202-2029 |
| Compound Name: | 4-{2-[2-({[4-(dimethylamino)phenyl](6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C25 H24 N6 O7 S |
| Smiles: | CN(C)c1ccc(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: | 0.855 |
| logD: | -3.4432 |
| logSw: | -2.2126 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 151.443 |
| InChI Key: | QVWTVBYFUXZKFA-UHFFFAOYSA-N |