methyl 2-[2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
methyl 2-[2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E716-0439 |
| Compound Name: | methyl 2-[2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CSCc1nc(c2ccc(c(c2)OC)OC)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6577 |
| logD: | 3.6432 |
| logSw: | -3.9497 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.196 |
| InChI Key: | ZWKJOHJQOOFRPL-UHFFFAOYSA-N |