ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | F084-0613 |
| Compound Name: | ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C20 H26 N6 O4 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)C(=O)OCC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.43 |
| logD: | 1.43 |
| logSw: | -2.1635 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.147 |
| InChI Key: | DDLAAFCAIMHHPR-UHFFFAOYSA-N |