1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one
1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8430-1498 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 313.72 |
| Molecular Formula: | C11 H8 Cl N3 O4 S |
| Smiles: | Cc1nnc(o1)SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0883 |
| logD: | 2.0883 |
| logSw: | -3.2236 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.192 |
| InChI Key: | XUIYRGPYYYTKAX-UHFFFAOYSA-N |