2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)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-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1)
2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)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: | E755-0183 |
| Compound Name: | 2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide--acetic acid (1/1) |
| Molecular Weight: | 587.63 |
| Molecular Formula: | C23 H21 N5 O6 S2 |
| Salt: | CH3COOH |
| Smiles: | CSc1cccc(c1)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(cc2)O)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.758 |
| logD: | -3.5403 |
| logSw: | -2.1666 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 137.847 |
| InChI Key: | WHEYPTIIEMUCGQ-UHFFFAOYSA-N |