N-(3,4-dimethoxyphenyl)-2-(2-{[(4-fluorophenyl)(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-(3,4-dimethoxyphenyl)-2-(2-{[(4-fluorophenyl)(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-(3,4-dimethoxyphenyl)-2-(2-{[(4-fluorophenyl)(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: | E755-0118 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-(2-{[(4-fluorophenyl)(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: | 603.58 |
| Molecular Formula: | C24 H22 F N5 O7 S |
| Salt: | CH3COOH |
| Smiles: | COc1ccc(cc1OC)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)F)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4808 |
| logD: | -3.8175 |
| logSw: | -2.2483 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 135.491 |
| InChI Key: | FWJPHHZTBFANCT-UHFFFAOYSA-N |