2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Chemical Structure Depiction of
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Compound characteristics
| Compound ID: | 2513-0403 |
| Compound Name: | 2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | CN1C(=C(/C#N)C(c2cc(c(c(c2)OC)OC)OC)=O)\Nc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7755 |
| logD: | 2.7755 |
| logSw: | -3.5669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.959 |
| InChI Key: | QPNNGZNZWRYWGV-UHFFFAOYSA-N |