2-({5,7-dimethyl-6-[(3-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-[(3-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-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C121-0140 |
| Compound Name: | 2-({5,7-dimethyl-6-[(3-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: | Cc1cccc(Cc2c(C)nc3nc(nn3c2C)SCC(N2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7832 |
| logD: | 3.7828 |
| logSw: | -4.0054 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.313 |
| InChI Key: | ONHMQLBNAAWXRQ-UHFFFAOYSA-N |