5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0395 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C23 H19 Cl N4 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c2ccccc2oc1C(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8928 |
| logD: | 2.876 |
| logSw: | -4.1617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102 |
| InChI Key: | KYWPUANQGSPEFP-UHFFFAOYSA-N |