3-methylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
3-methylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
3-methylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D394-6010 |
| Compound Name: | 3-methylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | Cc1cccc(c1)OC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6869 |
| logD: | 3.6869 |
| logSw: | -3.9783 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.5 |
| InChI Key: | NGLYVLSFAKOPHE-UHFFFAOYSA-N |