1-(2-chloro-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(2-chloro-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8430-1480 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 405.81 |
| Molecular Formula: | C17 H12 Cl N3 O5 S |
| Smiles: | C(c1nnc(o1)SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4872 |
| logD: | 3.4872 |
| logSw: | -4.0206 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.857 |
| InChI Key: | WKBGHWJCKCQMIT-UHFFFAOYSA-N |