4-butyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-butyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0753 |
| Compound Name: | 4-butyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C23 H26 N6 O4 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)C(c3ccco3)=O)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5746 |
| logD: | 1.5746 |
| logSw: | -1.985 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.402 |
| InChI Key: | ZJMXSDPMBYKYFU-UHFFFAOYSA-N |