N-[(4-fluorophenyl)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-[(4-fluorophenyl)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-[(4-fluorophenyl)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: | E596-0812 |
| Compound Name: | N-[(4-fluorophenyl)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: | 441.53 |
| Molecular Formula: | C22 H24 F N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCc3ccc(cc3)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9487 |
| logD: | 2.9487 |
| logSw: | -3.5336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.468 |
| InChI Key: | MGRLKIINKVHLBM-UHFFFAOYSA-N |