5-chloro-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0239 |
Compound Name: | 5-chloro-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 452.92 |
Molecular Formula: | C22 H17 Cl N4 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(Nc1cccc(C)c1)=O |
Stereo: | ACHIRAL |
logP: | 4.9115 |
logD: | 4.6723 |
logSw: | -4.9675 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.136 |
InChI Key: | MKAPJVBFDDGCPC-UHFFFAOYSA-N |