1-(3,4-dimethoxyphenyl)-2-(1-imino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-(1-imino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one--hydrogen bromide (1/1)
1-(3,4-dimethoxyphenyl)-2-(1-imino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 1487-1211 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-(1-imino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 391.26 |
| Molecular Formula: | C18 H18 N2 O3 |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1OC)C(CN1Cc2ccccc2C1=N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1663 |
| logD: | -1.934 |
| logSw: | -3.0736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.088 |
| InChI Key: | SITGHNXHIMFKTI-UHFFFAOYSA-N |