7-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0239 |
| Compound Name: | 7-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])n2c(N1)nc(n2)SC)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6347 |
| logD: | 4.6337 |
| logSw: | -4.8006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.795 |
| InChI Key: | RUFPIRCIWFUZFK-SFHVURJKSA-N |