5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0453 |
Compound Name: | 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 426.94 |
Molecular Formula: | C20 H15 Cl N4 O S2 |
Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)c1nc2ccc(C)cc2s1 |
Stereo: | ACHIRAL |
logP: | 5.7522 |
logD: | 5.7518 |
logSw: | -6.0136 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.364 |
InChI Key: | RKPGNAXWWDXJMB-UHFFFAOYSA-N |