N-[(3-chlorophenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-[(3-chlorophenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0001 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 307.8 |
| Molecular Formula: | C14 H14 Cl N3 O S |
| Smiles: | Cc1c(cnc(n1)SC)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2862 |
| logD: | 3.286 |
| logSw: | -3.6853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.043 |
| InChI Key: | JQEMRKRIOVBPFV-UHFFFAOYSA-N |