2-(2-{[(4-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-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
Chemical Structure Depiction of
2-(2-{[(4-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-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
2-(2-{[(4-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-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0060 |
| Compound Name: | 2-(2-{[(4-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-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1) |
| Molecular Weight: | 606.08 |
| Molecular Formula: | C23 H20 Cl N5 O5 S2 |
| Salt: | CH3COOH |
| Smiles: | CSc1cccc(c1)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)[Cl])S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9724 |
| logD: | -2.3258 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | OXUGFSXQWYWHIJ-UHFFFAOYSA-N |