N-[4-(cyanomethyl)phenyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-3,4,5-trimethoxybenzamide
N-[4-(cyanomethyl)phenyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 8013-1521 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2342 |
| logD: | 2.2342 |
| logSw: | -3.1254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.799 |
| InChI Key: | VQMDOFYBKQXHRU-UHFFFAOYSA-N |