2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | D344-9248 |
| Compound Name: | 2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | Cc1cccc(c1)OCCSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0311 |
| logD: | 4.0311 |
| logSw: | -4.1098 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.863 |
| InChI Key: | FBBXTDNTTIBPLW-UHFFFAOYSA-N |