N-(cyanomethyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(cyanomethyl)-3,4,5-trimethoxybenzamide
N-(cyanomethyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | Y030-3226 |
| Compound Name: | N-(cyanomethyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 250.25 |
| Molecular Formula: | C12 H14 N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7414 |
| logD: | 0.7414 |
| logSw: | -1.7413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.234 |
| InChI Key: | FVVJVTSODPWHBU-UHFFFAOYSA-N |