4-[4-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | C200-2932 |
| Compound Name: | 4-[4-(2-methylpropyl)-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: | 492.64 |
| Molecular Formula: | C26 H32 N6 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(CN4CCCC4)cc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.288 |
| logD: | 1.2764 |
| logSw: | -3.7268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.244 |
| InChI Key: | IRTQICBATGLADA-UHFFFAOYSA-N |