N-(4-ethylphenyl)-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]acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(4-ethylphenyl)-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]acetamide--acetic acid (1/1)
N-(4-ethylphenyl)-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]acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0282 |
| Compound Name: | N-(4-ethylphenyl)-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]acetamide--acetic acid (1/1) |
| Molecular Weight: | 595.67 |
| Molecular Formula: | C27 H29 N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | CCc1ccc(cc1)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)C(C)C)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1856 |
| logD: | -1.1126 |
| logSw: | -3.4189 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | PFBZYSSJWVXWLM-UHFFFAOYSA-N |