2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F396-1102 |
| Compound Name: | 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C22 H19 F3 N4 O2 S2 |
| Smiles: | CCCCN1C(=Nc2c3cccnc3sc2C1=O)SCC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1863 |
| logD: | 5.1863 |
| logSw: | -5.0555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.071 |
| InChI Key: | WEJRSUCDPCUYQZ-UHFFFAOYSA-N |