5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D233-0674 |
Compound Name: | 5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
Molecular Weight: | 464.93 |
Molecular Formula: | C23 H17 Cl N4 O3 S |
Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c2ccccc2oc1C(Nc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.0174 |
logD: | 4.7782 |
logSw: | -5.1443 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.136 |
InChI Key: | BGWWXTSCKDXATE-UHFFFAOYSA-N |