2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | J057-1262 |
| Compound Name: | 2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1ccc(cc1S(N1CCc2ccccc2C1)(=O)=O)c1nnc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.584 |
| logD: | 4.584 |
| logSw: | -4.3778 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.116 |
| InChI Key: | QQFQOPGWTZTOKL-UHFFFAOYSA-N |