N-(4-bromo-2-fluorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(4-bromo-2-fluorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0068 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 356.21 |
| Molecular Formula: | C13 H11 Br F N3 O S |
| Smiles: | Cc1c(cnc(n1)SC)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5039 |
| logD: | 2.4867 |
| logSw: | -3.8088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.024 |
| InChI Key: | NNTYUZQZCMCFCL-UHFFFAOYSA-N |