4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]butanamide
4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | E596-0352 |
| Compound Name: | 4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]butanamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C20 H20 F N5 O2 S |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCCC(NCc3ccc(cc3)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0073 |
| logD: | 2.0073 |
| logSw: | -2.523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.192 |
| InChI Key: | VGYFHUAGFLAOQI-UHFFFAOYSA-N |