2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]butanamide
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | C716-0055 |
| Compound Name: | 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C21 H18 F3 N3 O4 S2 |
| Smiles: | CCC(C(Nc1cccc(c1)C(F)(F)F)=O)SC1NC(C(=CN=1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.947 |
| logD: | 2.7349 |
| logSw: | -4.0105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.354 |
| InChI Key: | KTDIQTLYIDUGOL-INIZCTEOSA-N |