6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-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-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2598 |
| Compound Name: | 6-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 471.9 |
| Molecular Formula: | C21 H15 Cl F N5 O3 S |
| Smiles: | C(C1=CC(NC(N1)=O)=O)c1nnc(n1c1ccc(cc1)F)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7563 |
| logD: | 2.3069 |
| logSw: | -3.7264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.224 |
| InChI Key: | ZAHOHMWNLBPGPX-UHFFFAOYSA-N |