N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C328-0022 |
| Compound Name: | N-[(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 477.33 |
| Molecular Formula: | C19 H17 Br N4 O4 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(o1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9617 |
| logD: | 2.9616 |
| logSw: | -3.6131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.108 |
| InChI Key: | WRVVPNSEXJORGB-UHFFFAOYSA-N |