6-({4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-({4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
6-({4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2585 |
| Compound Name: | 6-({4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9604 |
| logD: | 2.511 |
| logSw: | -3.4783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.923 |
| InChI Key: | ROTXWVCGBGQGBB-UHFFFAOYSA-N |