7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0240 |
| Compound Name: | 7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C20 H18 Cl N5 O S |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])n2c(N1)nc(n2)SC)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4916 |
| logD: | 4.4907 |
| logSw: | -4.6082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.862 |
| InChI Key: | XGVNDOLAIVMZMY-KRWDZBQOSA-N |