5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0663 |
| Compound Name: | 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c2ccccc2oc1C(c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8915 |
| logD: | 5.5182 |
| logSw: | -6.0122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | QCWRZLNJGHRUAU-UHFFFAOYSA-N |