2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
Chemical Structure Depiction of
2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2286 |
| Compound Name: | 2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1) |
| Molecular Weight: | 613.71 |
| Molecular Formula: | C26 H27 N5 O5 S2 |
| Salt: | CH3COOH |
| Smiles: | CC(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: | 2.7159 |
| logD: | -1.5823 |
| logSw: | -3.2417 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | PILJOAWUPHWZTG-UHFFFAOYSA-N |