N-[4-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide
N-[4-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide
Compound characteristics
Compound ID: | 8430-1486 |
Compound Name: | N-[4-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide |
Molecular Weight: | 432.84 |
Molecular Formula: | C18 H13 Cl N4 O5 S |
Smiles: | CC(Nc1ccc(cc1)c1nnc(o1)SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0269 |
logD: | 3.0269 |
logSw: | -3.7687 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.954 |
InChI Key: | ZKZTYPPCMRNPDG-UHFFFAOYSA-N |