N-(3-chlorophenyl)-2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide--acetic acid (1/1)
N-(3-chlorophenyl)-2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0288 |
| Compound Name: | N-(3-chlorophenyl)-2-[2-({(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-(propan-2-yl)phenyl]methyl}amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide--acetic acid (1/1) |
| Molecular Weight: | 602.07 |
| Molecular Formula: | C25 H24 Cl N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | CC(C)c1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2cccc(c2)[Cl])=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0085 |
| logD: | -1.2897 |
| logSw: | -3.6421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.23 |
| InChI Key: | ADLGITAZLOZNFO-UHFFFAOYSA-N |