N-(cyanomethyl)-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-(cyanomethyl)-3,4-dimethylbenzamide
N-(cyanomethyl)-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | Y031-6678 |
| Compound Name: | N-(cyanomethyl)-3,4-dimethylbenzamide |
| Molecular Weight: | 188.23 |
| Molecular Formula: | C11 H12 N2 O |
| Smiles: | Cc1ccc(cc1C)C(NCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9465 |
| logD: | 1.9465 |
| logSw: | -2.3625 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.257 |
| InChI Key: | GBOSAKNBWDTNAW-UHFFFAOYSA-N |