6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-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-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2583 |
| Compound Name: | 6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C22 H18 Cl N5 O3 S |
| Smiles: | Cc1cccc(c1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1949 |
| logD: | 2.7455 |
| logSw: | -3.7101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.224 |
| InChI Key: | AGVVMOAWIOHNEK-UHFFFAOYSA-N |