4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl propanoate
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 2237-1586 |
| Compound Name: | 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl propanoate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | CCC(=O)Oc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6983 |
| logD: | 3.6974 |
| logSw: | -4.1648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.086 |
| InChI Key: | YXUHACZCRNYIKR-UHFFFAOYSA-N |