N-[(furan-2-yl)methyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[(furan-2-yl)methyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0796 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCc3ccco3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6703 |
| logD: | 2.6703 |
| logSw: | -3.0335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.216 |
| InChI Key: | PKPALHJTSXTPAI-UHFFFAOYSA-N |