2-(2-{[(3-chlorophenyl)(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-(2-ethoxyphenyl)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
2-(2-{[(3-chlorophenyl)(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-(2-ethoxyphenyl)acetamide--acetic acid (1/1)
2-(2-{[(3-chlorophenyl)(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-(2-ethoxyphenyl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | C202-2081 |
| Compound Name: | 2-(2-{[(3-chlorophenyl)(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-(2-ethoxyphenyl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 604.04 |
| Molecular Formula: | C24 H22 Cl N5 O6 S |
| Salt: | CH3COOH |
| Smiles: | CCOc1ccccc1NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2cccc(c2)[Cl])S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.793 |
| logD: | -2.5052 |
| logSw: | -2.7358 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 126.742 |
| InChI Key: | NSFZIQKEWZAGSW-UHFFFAOYSA-N |