5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0296 |
| Compound Name: | 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 499.93 |
| Molecular Formula: | C23 H18 Cl N3 O6 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5646 |
| logD: | 2.2993 |
| logSw: | -3.8888 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.212 |
| InChI Key: | BRMRVEAWNCNHRF-UHFFFAOYSA-N |