6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione
6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2581 |
| Compound Name: | 6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(CC2=CC(NC(N2)=O)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9933 |
| logD: | 1.5439 |
| logSw: | -2.4622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.768 |
| InChI Key: | NTJTXYZSYOGZAD-UHFFFAOYSA-N |