N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
Compound characteristics
| Compound ID: | C121-0535 |
| Compound Name: | N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide |
| Molecular Weight: | 480.03 |
| Molecular Formula: | C25 H26 Cl N5 O S |
| Smiles: | CCN(Cc1ccccc1)C(CSc1nc2nc(C)c(Cc3ccccc3[Cl])c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.969 |
| logD: | 4.9687 |
| logSw: | -4.9788 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.235 |
| InChI Key: | OAQPWFVXNRDBFC-UHFFFAOYSA-N |