ethyl 4-[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)acetamido]benzoate--acetic acid (1/1)
Chemical Structure Depiction of
ethyl 4-[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)acetamido]benzoate--acetic acid (1/1)
ethyl 4-[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)acetamido]benzoate--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2356 |
| Compound Name: | ethyl 4-[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)acetamido]benzoate--acetic acid (1/1) |
| Molecular Weight: | 625.66 |
| Molecular Formula: | C27 H27 N5 O7 S |
| Salt: | CH3COOH |
| Smiles: | CCc1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2ccc(cc2)C(=O)OCC)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4488 |
| logD: | -1.8494 |
| logSw: | -2.8591 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 140.984 |
| InChI Key: | DEIKZVITYGIASP-UHFFFAOYSA-N |