4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium--perchlorate (1/1)
Chemical Structure Depiction of
4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium--perchlorate (1/1)
4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium--perchlorate (1/1)
Compound characteristics
| Compound ID: | 4861-0106 |
| Compound Name: | 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium--perchlorate (1/1) |
| Molecular Weight: | 451.9 |
| Molecular Formula: | C22 H26 N O3 |
| Salt: | ClO4- |
| Smiles: | CCOc1cccc(c2c1c(C)[n+](c1cccc(c1)OC)c2C)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.2617 |
| logD: | 5.2617 |
| logSw: | -5.4398 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.1063 |
| InChI Key: | GKNIZGVXKNQUDJ-UHFFFAOYSA-N |