4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanamide
Chemical Structure Depiction of
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanamide
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanamide
Compound characteristics
| Compound ID: | C200-2926 |
| Compound Name: | 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C23 H26 N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(CN4CCCC4)cc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8088 |
| logD: | -0.2028 |
| logSw: | -2.568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.01 |
| InChI Key: | CJHMDHJEEFGBHW-UHFFFAOYSA-N |