2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-5-(3,4-dimethoxyphenyl)-3-oxopent-4-enenitrile
Chemical Structure Depiction of
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-5-(3,4-dimethoxyphenyl)-3-oxopent-4-enenitrile
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-5-(3,4-dimethoxyphenyl)-3-oxopent-4-enenitrile
Compound characteristics
| Compound ID: | 5594-3173 |
| Compound Name: | 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-5-(3,4-dimethoxyphenyl)-3-oxopent-4-enenitrile |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | COc1ccc(/C=C/C(C(C#N)=C2Nc3ccccc3N2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2436 |
| logD: | 3.2434 |
| logSw: | -3.5184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.849 |
| InChI Key: | NQTCBXUFZTXNAW-UHFFFAOYSA-N |