2-(2-{[(4-ethylphenyl)(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--acetic acid (1/1)
Chemical Structure Depiction of
2-(2-{[(4-ethylphenyl)(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--acetic acid (1/1)
2-(2-{[(4-ethylphenyl)(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--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0338 |
| Compound Name: | 2-(2-{[(4-ethylphenyl)(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--acetic acid (1/1) |
| Molecular Weight: | 599.68 |
| Molecular Formula: | C25 H25 N5 O5 S2 |
| Salt: | CH3COOH |
| Smiles: | CCc1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2cccc(c2)SC)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3084 |
| logD: | -1.9898 |
| logSw: | -2.8493 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | BHYMYRIVUDXQBL-UHFFFAOYSA-N |