N-[4-(cyanomethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(cyanomethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8013-1611 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C16 H12 N2 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3759 |
| logD: | 2.3759 |
| logSw: | -3.043 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.937 |
| InChI Key: | YKIVDYMGYONXET-UHFFFAOYSA-N |