2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | D344-9259 |
| Compound Name: | 2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C18 H17 N3 O5 S |
| Smiles: | Cc1ccc(c(c1)OC)OCCSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5672 |
| logD: | 3.5672 |
| logSw: | -3.7489 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.58 |
| InChI Key: | WTSBIKLJSQPSOX-UHFFFAOYSA-N |