1-[(4-fluorophenyl)methyl]-3-{4-[(2-methylphenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-{4-[(2-methylphenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-[(4-fluorophenyl)methyl]-3-{4-[(2-methylphenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0898 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-{4-[(2-methylphenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C25 H30 F N3 O3 |
| Smiles: | Cc1ccccc1OCC(N1CCCN(CC1)C1CCN(Cc2ccc(cc2)F)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4046 |
| logD: | 2.3904 |
| logSw: | -2.4326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.627 |
| InChI Key: | RACSGCYRYGBFPM-JOCHJYFZSA-N |