6-[(5-{[2-(4-chlorophenyl)-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-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione
6-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2580 |
| Compound Name: | 6-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 453.91 |
| Molecular Formula: | C21 H16 Cl N5 O3 S |
| Smiles: | C(C1=CC(NC(N1)=O)=O)c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6057 |
| logD: | 2.1563 |
| logSw: | -3.5762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.224 |
| InChI Key: | VRRSETDCEHPCEW-UHFFFAOYSA-N |