ethyl 1-{[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}piperidine-3-carboxylate
ethyl 1-{[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | L397-0366 |
| Compound Name: | ethyl 1-{[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C21 H27 N5 O5 S |
| Smiles: | CCOC(C1CCCN(C1)C(CN1C(N2C(=N1)N(CC(C)C)C(c1c2ccs1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1963 |
| logD: | 2.1963 |
| logSw: | -2.5032 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.305 |
| InChI Key: | PXOBKFFHLBBADF-AWEZNQCLSA-N |