ethyl 4-[3-(5-oxo-4-pentyl-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-pentyl-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-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | F084-0410 |
| Compound Name: | ethyl 4-[3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H30 N6 O4 S |
| Smiles: | CCCCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)C(=O)OCC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5517 |
| logD: | 2.5517 |
| logSw: | -2.5336 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.147 |
| InChI Key: | ZISCCIVRDURGAA-UHFFFAOYSA-N |