5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0536 |
| Compound Name: | 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9658 |
| logD: | 5.5924 |
| logSw: | -6.0554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | YKUSJXXRATXOIA-UHFFFAOYSA-N |