2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C121-0058 |
| Compound Name: | 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8227 |
| logD: | 3.8224 |
| logSw: | -3.9382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.313 |
| InChI Key: | WXZCMERGZHDHBD-UHFFFAOYSA-N |