N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D233-0633 |
Compound Name: | N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
Molecular Weight: | 449.91 |
Molecular Formula: | C23 H16 Cl N3 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c2ccccc2oc1C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.4175 |
logD: | 5.0441 |
logSw: | -5.974 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.512 |
InChI Key: | CDYILBYMZSBECC-UHFFFAOYSA-N |