2-(4-chlorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane
2-(4-chlorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane
Compound characteristics
| Compound ID: | J006-1362 |
| Compound Name: | 2-(4-chlorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane |
| Molecular Weight: | 389.92 |
| Molecular Formula: | C22 H28 Cl N O3 |
| Smiles: | COc1ccc(CN2CCCCCC2c2ccc(cc2)[Cl])c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2733 |
| logD: | 4.0981 |
| logSw: | -6.1454 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.9546 |
| InChI Key: | HRERUZFXZLCRMU-IBGZPJMESA-N |