4-[2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl acetate
4-[2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 8008-9114 |
| Compound Name: | 4-[2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl acetate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | CC(=O)Oc1ccc(/C=C(C#N)/c2nc3cc(C)ccc3[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.624 |
| logD: | 3.6236 |
| logSw: | -3.9343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.782 |
| InChI Key: | KDFFNVHBWKEHSN-UHFFFAOYSA-N |