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]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
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]-N-[3-(methylsulfanyl)phenyl]acetamide
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]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C202-2113 |
| Compound Name: | 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]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 554.65 |
| Molecular Formula: | C25 H26 N6 O5 S2 |
| Smiles: | CN(C)c1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2cccc(c2)SC)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4677 |
| logD: | -2.8305 |
| logSw: | -2.4156 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 123.035 |
| InChI Key: | NHIUZHRHHGKWTA-UHFFFAOYSA-N |