N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-1392 |
| Compound Name: | N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C18 H20 N6 O4 S |
| Smiles: | CN1C(=CC(N(C)C1=O)=O)NC(CSc1nnc(COC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2799 |
| logD: | 0.2758 |
| logSw: | -2.1659 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.538 |
| InChI Key: | DXBJSUAKJNEWRK-UHFFFAOYSA-N |