N-[(5-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C328-0030 |
| Compound Name: | N-[(5-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(o1)SCC(Nc1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.873 |
| logD: | 1.8729 |
| logSw: | -2.5995 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.584 |
| InChI Key: | NRYVRYNHRDVJFM-UHFFFAOYSA-N |