6-{[4-(4-chlorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{[4-(4-chlorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
6-{[4-(4-chlorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2601 |
| Compound Name: | 6-{[4-(4-chlorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C22 H18 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(CC2=CC(NC(N2)=O)=O)n1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7096 |
| logD: | 2.2602 |
| logSw: | -3.7307 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.768 |
| InChI Key: | QVPANIDZWBARNV-UHFFFAOYSA-N |