2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E682-0095 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H19 F N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)S(c1cnc(nc1N)SCC(Nc1ccccc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3723 |
| logD: | 3.3722 |
| logSw: | -3.6977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.431 |
| InChI Key: | PXCNJTOAKGRCQS-UHFFFAOYSA-N |