5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0502 |
| Compound Name: | 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 486.38 |
| Molecular Formula: | C23 H17 Cl2 N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1915 |
| logD: | 5.8181 |
| logSw: | -6.1414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | QVALQMSEMKNIME-UHFFFAOYSA-N |