N-(4-acetylphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetylphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2317 |
| Compound Name: | N-(4-acetylphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 494.5 |
| Molecular Formula: | C23 H19 F N6 O4 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(CC2=CC(NC(N2)=O)=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5765 |
| logD: | 1.127 |
| logSw: | -2.3643 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.953 |
| InChI Key: | JJRNHSMRHNRNIL-UHFFFAOYSA-N |