N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1342 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 604.63 |
| Molecular Formula: | C27 H23 F3 N4 O5 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7048 |
| logD: | 3.7048 |
| logSw: | -4.1024 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.806 |
| InChI Key: | NXMNZURPPPTBMC-UHFFFAOYSA-N |