2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-chloro-5-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-chloro-5-nitrophenyl)ethan-1-one
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-chloro-5-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8430-1477 |
| Compound Name: | 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-chloro-5-nitrophenyl)ethan-1-one |
| Molecular Weight: | 389.81 |
| Molecular Formula: | C17 H12 Cl N3 O4 S |
| Smiles: | C(c1ccccc1)c1nnc(o1)SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7437 |
| logD: | 3.7437 |
| logSw: | -4.2963 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.358 |
| InChI Key: | LEXQYQURMWSMEA-UHFFFAOYSA-N |