5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0222 |
Compound Name: | 5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 455.89 |
Molecular Formula: | C22 H15 Cl F N3 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(c1ccc(C)c(c1)F)=O |
Stereo: | ACHIRAL |
logP: | 5.587 |
logD: | 5.2136 |
logSw: | -6.0552 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.512 |
InChI Key: | BTEHHWMSSMXDLP-UHFFFAOYSA-N |