6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2586 |
| Compound Name: | 6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C23 H20 Cl N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6602 |
| logD: | 3.2108 |
| logSw: | -4.2859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.923 |
| InChI Key: | UTPLSZZPPXOPEC-UHFFFAOYSA-N |