2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | P032-0592 |
| Compound Name: | 2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(c3)SC)=O)C(N2C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1531 |
| logD: | 4.1354 |
| logSw: | -4.4227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | GGXQXEWXKIACCK-UHFFFAOYSA-N |