5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0664 |
| Compound Name: | 5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C24 H17 Cl F N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c2ccccc2oc1C(c1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2446 |
| logD: | 5.8712 |
| logSw: | -6.1656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | BJTWZPMLGWIHOM-UHFFFAOYSA-N |