3-methyl-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}butan-1-one
3-methyl-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S535-0292 |
| Compound Name: | 3-methyl-1-{4-[(pyrrolidin-1-yl)methyl]azepan-1-yl}butan-1-one |
| Molecular Weight: | 266.43 |
| Molecular Formula: | C16 H30 N2 O |
| Smiles: | CC(C)CC(N1CCCC(CC1)CN1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4521 |
| logD: | -0.6718 |
| logSw: | -2.2168 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.0605 |
| InChI Key: | RTUDQXXYSSNWTE-OAHLLOKOSA-N |