N-(4-bromo-3-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(4-bromo-3-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1073 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 366.28 |
| Molecular Formula: | C15 H16 Br N3 O S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2261 |
| logD: | 4.1939 |
| logSw: | -4.139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.41 |
| InChI Key: | JCIKHXOYDHMEHG-UHFFFAOYSA-N |