5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0188 |
| Compound Name: | 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 458.32 |
| Molecular Formula: | C21 H13 Cl2 N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4597 |
| logD: | 5.0864 |
| logSw: | -6.0138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | OSLLJZQZZPCQEN-UHFFFAOYSA-N |