4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
Chemical Structure Depiction of
4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
Compound characteristics
| Compound ID: | 8017-8048 |
| Compound Name: | 4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile |
| Molecular Weight: | 228.25 |
| Molecular Formula: | C13 H12 N2 O2 |
| Smiles: | COc1cc(C#N)c(cc1OC)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4698 |
| logD: | 2.4698 |
| logSw: | -2.5192 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.24 |
| InChI Key: | STLJEGKOMXIIMG-UHFFFAOYSA-N |