3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | F084-0667 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C20 H19 Cl F N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3ccc(c(c3)[Cl])F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8036 |
| logD: | 3.7881 |
| logSw: | -4.1909 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.124 |
| InChI Key: | BWTAQKMDLOWZTF-UHFFFAOYSA-N |