N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | C202-2296 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-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: | 627.67 |
| Molecular Formula: | C27 H29 N5 O7 S |
| Salt: | CH3COOH |
| Smiles: | CC(C)c1ccc(cc1)C(C1=C(NC(NC1=O)=O)O)NC1=NC(C(CC(Nc2ccc(c(c2)OC)OC)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7899 |
| logD: | -2.5083 |
| logSw: | -2.6103 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 135.491 |
| InChI Key: | RAWAOYKMCADKIB-UHFFFAOYSA-N |