ethyl 1-[(4-butyl-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-butyl-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-butyl-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: | L397-0470 |
| Compound Name: | ethyl 1-[(4-butyl-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: | CCCCN1C2=NN(CC(N3CCCC(C3)C(=O)OCC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2186 |
| logD: | 2.2186 |
| logSw: | -2.5189 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.283 |
| InChI Key: | WPMTXWMFEHVNFH-AWEZNQCLSA-N |