2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | C179-0917 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C21 H27 N5 O S |
| Smiles: | CC(C)CCNC(CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5961 |
| logD: | 3.596 |
| logSw: | -3.8699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.139 |
| InChI Key: | CSASDMGQZMFLQX-UHFFFAOYSA-N |