5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0789 |
| Compound Name: | 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC(C)C)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0365 |
| logD: | 5.6631 |
| logSw: | -6.0787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | KCXPWATZJXAWDF-UHFFFAOYSA-N |