N-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}alanine
Chemical Structure Depiction of
N-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}alanine
N-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}alanine
Compound characteristics
| Compound ID: | J057-1139 |
| Compound Name: | N-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}alanine |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C20 H21 N3 O7 S |
| Smiles: | CC(C(O)=O)NS(c1cc(ccc1C)c1nnc(c2ccc(c(c2)OC)OC)o1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6432 |
| logD: | -2.1507 |
| logSw: | -2.4155 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.558 |
| InChI Key: | RZTHMOATHSKRGQ-LBPRGKRZSA-N |