2-[7-(4-methoxyphenyl)-5-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[7-(4-methoxyphenyl)-5-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[7-(4-methoxyphenyl)-5-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | P032-2181 |
| Compound Name: | 2-[7-(4-methoxyphenyl)-5-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3cccc(c3)SC)=O)C(N12)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4823 |
| logD: | 3.4743 |
| logSw: | -3.8687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.682 |
| InChI Key: | PHIQTHPCPOWVDW-UHFFFAOYSA-N |