1-(4-methoxyphenyl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one--hydrogen bromide (1/1)
1-(4-methoxyphenyl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2595-0361 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 452.28 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1152 |
| logD: | 3.1152 |
| logSw: | -3.4915 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.236 |
| InChI Key: | AKKCYZLEYIOISX-UHFFFAOYSA-N |