propan-2-yl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
propan-2-yl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1003 |
| Compound Name: | propan-2-yl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 323.32 |
| Molecular Formula: | C13 H13 N3 O5 S |
| Smiles: | CC(C)OC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4944 |
| logD: | 2.4944 |
| logSw: | -2.6084 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.555 |
| InChI Key: | JOKVQEDXDIYWLT-UHFFFAOYSA-N |