methyl 2-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Chemical Structure Depiction of
methyl 2-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
methyl 2-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Compound characteristics
| Compound ID: | G729-0964 |
| Compound Name: | methyl 2-(3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(CCC(Nc2ccccc2C(=O)OC)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5316 |
| logD: | 2.5057 |
| logSw: | -3.0172 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.962 |
| InChI Key: | XTTAAACKEQTMHF-UHFFFAOYSA-N |