N-benzyl-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylacetamide
Chemical Structure Depiction of
N-benzyl-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylacetamide
N-benzyl-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | D458-0067 |
| Compound Name: | N-benzyl-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylacetamide |
| Molecular Weight: | 419.91 |
| Molecular Formula: | C23 H22 Cl N5 O |
| Smiles: | Cc1c(CC(N(C)Cc2ccccc2)=O)c(C)n2c(n1)nc(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4677 |
| logD: | 4.4676 |
| logSw: | -4.7516 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.728 |
| InChI Key: | IFZYIYGDVUSUTN-UHFFFAOYSA-N |