2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E682-0098 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C21 H19 F3 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)S(c1cnc(nc1N)SCC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6354 |
| logD: | 4.635 |
| logSw: | -4.4837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.129 |
| InChI Key: | NGJFOPONIILDHB-UHFFFAOYSA-N |