N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0088 |
| Compound Name: | N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 537.39 |
| Molecular Formula: | C21 H21 Br N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7601 |
| logD: | 2.76 |
| logSw: | -3.4482 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.542 |
| InChI Key: | ZVZGCTHXYZIAAF-UHFFFAOYSA-N |