2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | D585-0523 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C16 H14 F3 N5 O2 S |
| Smiles: | CCC(C(Nc1ccccc1C(F)(F)F)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9928 |
| logD: | 2.4534 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.512 |
| InChI Key: | BXPOGUVSHSYLCC-JTQLQIEISA-N |