ethyl 3-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Chemical Structure Depiction of
ethyl 3-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
ethyl 3-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Compound characteristics
| Compound ID: | G729-0951 |
| Compound Name: | ethyl 3-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1nc(CS(c2ccc(C)cc2)(=O)=O)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.589 |
| logD: | 3.589 |
| logSw: | -3.6986 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.24 |
| InChI Key: | AOKXMXFXDUZINB-UHFFFAOYSA-N |