2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F396-1116 |
| Compound Name: | 2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C22 H19 F3 N4 O2 S2 |
| Smiles: | CC(C)CN1C(=Nc2c3cccnc3sc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8069 |
| logD: | 4.8069 |
| logSw: | -4.6369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.395 |
| InChI Key: | XWSSIGBXFXKZKI-UHFFFAOYSA-N |