N-(2,3-dimethylphenyl)-2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxy-3-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxy-3-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
N-(2,3-dimethylphenyl)-2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxy-3-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | E755-0232 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxy-3-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 599.62 |
| Molecular Formula: | C25 H25 N5 O7 S |
| Salt: | CH3COOH |
| Smiles: | Cc1cccc(c1C)NC(CC1C(N=C(NC(C2=C(NC(NC2=O)=O)O)c2ccc(c(c2)OC)O)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8917 |
| logD: | -3.4065 |
| logSw: | -2.2142 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 143.711 |
| InChI Key: | TVDRGLRAEALOGB-UHFFFAOYSA-N |