N-(2-bromophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-bromophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(2-bromophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0031 |
| Compound Name: | N-(2-bromophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 338.22 |
| Molecular Formula: | C13 H12 Br N3 O S |
| Smiles: | Cc1c(cnc(n1)SC)C(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0862 |
| logD: | 3.0782 |
| logSw: | -3.4956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.024 |
| InChI Key: | SZPOJLTVHIDUNJ-UHFFFAOYSA-N |