5-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0236 |
| Compound Name: | 5-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C21 H14 Cl2 N4 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1463 |
| logD: | 4.9071 |
| logSw: | -5.5825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.136 |
| InChI Key: | UHQLTNPOUVFPKG-UHFFFAOYSA-N |