N-(3-chlorophenyl)-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)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(3-chlorophenyl)-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)acetamide--acetic acid (1/1)
N-(3-chlorophenyl)-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)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0319 |
| Compound Name: | N-(3-chlorophenyl)-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)acetamide--acetic acid (1/1) |
| Molecular Weight: | 588.04 |
| Molecular Formula: | C24 H22 Cl N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | CCc1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2cccc(c2)[Cl])=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.601 |
| logD: | -1.6972 |
| logSw: | -3.5222 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | YDSRGWNVAJWQTR-UHFFFAOYSA-N |