N-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0327 |
| Compound Name: | N-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 321.83 |
| Molecular Formula: | C15 H16 Cl N3 O S |
| Smiles: | Cc1c(cnc(n1)SC)C(NCCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3593 |
| logD: | 3.3593 |
| logSw: | -3.6199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.885 |
| InChI Key: | YXFOSQUNEWNKEH-UHFFFAOYSA-N |