N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0456 |
| Compound Name: | N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(o1)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2037 |
| logD: | 2.2037 |
| logSw: | -2.734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.732 |
| InChI Key: | CIDJKLZWZDAFEF-UHFFFAOYSA-N |