2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
Compound characteristics
Compound ID: | J047-0506 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide |
Molecular Weight: | 498 |
Molecular Formula: | C24 H24 Cl N5 O3 S |
Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(c(c1)[Cl])N1CCOCC1)=O |
Stereo: | ACHIRAL |
logP: | 5.0847 |
logD: | 5.0845 |
logSw: | -5.5078 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.468 |
InChI Key: | YCWRIPLOVFTLAK-UHFFFAOYSA-N |