3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y508-6945 |
| Compound Name: | 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | CC(C)CCOc1ccc(/C=C(C#N)/c2nc3ccc(C)cc3[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.529 |
| logD: | 5.527 |
| logSw: | -5.4677 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.449 |
| InChI Key: | NSYRFMDFIKXJNI-UHFFFAOYSA-N |