N-(3-chloro-2-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(3-chloro-2-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1045 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 321.83 |
| Molecular Formula: | C15 H16 Cl N3 O S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0571 |
| logD: | 3.9621 |
| logSw: | -4.2706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.712 |
| InChI Key: | PFUPGESLUUGOGA-UHFFFAOYSA-N |