3-{4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
Chemical Structure Depiction of
3-{4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
3-{4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0753 |
| Compound Name: | 3-{4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C25 H31 F N4 O2 |
| Smiles: | CN(C)c1cccc(c1)C(N1CCCN(CC1)C1CCN(Cc2ccc(cc2)F)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3823 |
| logD: | 2.3802 |
| logSw: | -2.6967 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.374 |
| InChI Key: | SLKIBGQYAMVNSB-HSZRJFAPSA-N |