1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0422 |
| Compound Name: | 1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C24 H28 N6 O4 S |
| Smiles: | CCCCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)C(c3ccco3)=O)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2221 |
| logD: | 2.2221 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.402 |
| InChI Key: | HUMBESANAVDAJT-UHFFFAOYSA-N |