1-benzyl-3-{4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-{4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-benzyl-3-{4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0489 |
| Compound Name: | 1-benzyl-3-{4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H26 F3 N3 O2 |
| Smiles: | C1CN(CCN(C1)C(c1cccc(c1)C(F)(F)F)=O)C1CCN(Cc2ccccc2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8391 |
| logD: | 2.8371 |
| logSw: | -3.1961 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.569 |
| InChI Key: | CEFLQRHKYKDYPO-NRFANRHFSA-N |