1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0751 |
| Compound Name: | 1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(N3CCC(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3373 |
| logD: | 4.3373 |
| logSw: | -4.078 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.096 |
| InChI Key: | GYVABUOCWCBFRF-UHFFFAOYSA-N |