N-(3-chloro-4-methoxyphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1109 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 337.83 |
| Molecular Formula: | C15 H16 Cl N3 O2 S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5622 |
| logD: | 3.449 |
| logSw: | -3.8703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.041 |
| InChI Key: | XLMWZFVCWSCQHQ-UHFFFAOYSA-N |