2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-7924 |
| Compound Name: | 2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 499.9 |
| Molecular Formula: | C20 H17 Cl F3 N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(cc3C(F)(F)F)[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5936 |
| logD: | 4.5935 |
| logSw: | -4.6509 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.655 |
| InChI Key: | CCABFQGQGXNRCQ-UHFFFAOYSA-N |