ethyl 1-{3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanoyl}piperidine-4-carboxylate
ethyl 1-{3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F084-0327 |
| Compound Name: | ethyl 1-{3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCc1nnc2N(CC(C)C)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2568 |
| logD: | 2.2568 |
| logSw: | -2.4484 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.142 |
| InChI Key: | GJMHITZCCDVDMR-UHFFFAOYSA-N |