3-(3-methoxyphenyl)-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}propan-1-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}propan-1-one
3-(3-methoxyphenyl)-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S535-0311 |
| Compound Name: | 3-(3-methoxyphenyl)-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}propan-1-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | COc1cccc(CCC(N2CCCC(CC2)CN2CCCC2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0786 |
| logD: | -0.0454 |
| logSw: | -3.2323 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3327 |
| InChI Key: | ALRKDZVPNYFVAD-LJQANCHMSA-N |