2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C179-1008 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.091 |
| logD: | 3.0907 |
| logSw: | -3.1559 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.313 |
| InChI Key: | QBJPKYMFOAJQSR-UHFFFAOYSA-N |