5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0240 |
| Compound Name: | 5-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 468.92 |
| Molecular Formula: | C22 H17 Cl N4 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c2ccccc2oc1C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.534 |
| logD: | 4.2947 |
| logSw: | -4.5078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.68 |
| InChI Key: | FEHCAEMVFKWJBJ-UHFFFAOYSA-N |