2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | C179-0964 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide |
| Molecular Weight: | 496.72 |
| Molecular Formula: | C27 H40 N6 O S |
| Smiles: | CC(C)CN(CCCNC(CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.5437 |
| logD: | 1.6903 |
| logSw: | -4.2092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.101 |
| InChI Key: | PEMLUGWVOPFHOJ-UHFFFAOYSA-N |