ethyl 4-[2-(2-{[(4-ethoxyphenyl)(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-ethoxyphenyl)(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-ethoxyphenyl)(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: | C202-2358 |
| Compound Name: | ethyl 4-[2-(2-{[(4-ethoxyphenyl)(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: | 641.66 |
| Molecular Formula: | C27 H27 N5 O8 S |
| Salt: | CH3COOH |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)OCC)S1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8871 |
| logD: | -2.4111 |
| logSw: | -2.5923 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 148.107 |
| InChI Key: | LGPMVROELSAKPG-UHFFFAOYSA-N |