1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}piperidine-4-carboxylic acid
1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | J057-1212 |
| Compound Name: | 1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}piperidine-4-carboxylic acid |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | Cc1ccc(cc1S(N1CCC(CC1)C(O)=O)(=O)=O)c1nnc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.18 |
| logD: | -0.3803 |
| logSw: | -2.4091 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.863 |
| InChI Key: | QQHHQQIJNTXKOM-UHFFFAOYSA-N |