N-(4-chlorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(4-chlorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E540-0154 |
| Compound Name: | N-(4-chlorophenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 293.77 |
| Molecular Formula: | C13 H12 Cl N3 O S |
| Smiles: | Cc1c(cnc(n1)SC)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2199 |
| logD: | 3.1697 |
| logSw: | -3.7313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.721 |
| InChI Key: | QQGFMJRWPGIRDB-UHFFFAOYSA-N |