5-chloro-N-[4-(2,6-dimethylmorpholine-4-sulfonyl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(2,6-dimethylmorpholine-4-sulfonyl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[4-(2,6-dimethylmorpholine-4-sulfonyl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0165 |
Compound Name: | 5-chloro-N-[4-(2,6-dimethylmorpholine-4-sulfonyl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 456.97 |
Molecular Formula: | C18 H21 Cl N4 O4 S2 |
Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)S(N1CC(C)OC(C)C1)(=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8606 |
logD: | 2.6311 |
logSw: | -3.5539 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.558 |
InChI Key: | JUFSDFYSTKUOEP-UHFFFAOYSA-N |