N-(4-chlorophenyl)-5-methyl-7-(2-methylpropyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-7-(2-methylpropyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-7-(2-methylpropyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0300 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-7-(2-methylpropyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 391.92 |
| Molecular Formula: | C18 H22 Cl N5 O S |
| Smiles: | CC(C)CC1C(=C(C)Nc2nc(nn12)SC)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5222 |
| logD: | 4.5206 |
| logSw: | -4.6171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.086 |
| InChI Key: | IFTUUXQMVDGJDP-AWEZNQCLSA-N |