5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0552 |
Compound Name: | 5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 496.97 |
Molecular Formula: | C24 H21 Cl N4 O4 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1c2ccccc2oc1C(Nc1ccc(cc1)OC)=O |
Stereo: | ACHIRAL |
logP: | 5.2657 |
logD: | 5.0265 |
logSw: | -5.7261 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.68 |
InChI Key: | LVGUJWMKVLSMQE-UHFFFAOYSA-N |