N-(4-bromo-3-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(4-bromo-3-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0099 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 352.25 |
| Molecular Formula: | C14 H14 Br N3 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(c1cnc(nc1C)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7998 |
| logD: | 3.7661 |
| logSw: | -3.9435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.721 |
| InChI Key: | YXVYJNDLFUBSDM-UHFFFAOYSA-N |