5-chloro-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0235 |
| Compound Name: | 5-chloro-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C22 H17 Cl N4 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.975 |
| logD: | 4.7357 |
| logSw: | -4.9437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.136 |
| InChI Key: | DAWWXRSZPJMJBJ-UHFFFAOYSA-N |