4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6937-0227 |
| Compound Name: | 4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 519.82 |
| Molecular Formula: | C21 H12 Br Cl N2 O3 S2 |
| Smiles: | C(C#CCSc1nnc(c2cccc(c2)[Br])o1)OC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3982 |
| logD: | 6.3982 |
| logSw: | -6.6507 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.859 |
| InChI Key: | ISYXSHCBGPKUEW-UHFFFAOYSA-N |