1-benzyl-3-{4-[(3-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-{4-[(3-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-benzyl-3-{4-[(3-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0614 |
| Compound Name: | 1-benzyl-3-{4-[(3-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | C1CN(CCN(C1)C(COc1cccc(c1)[Cl])=O)C1CCN(Cc2ccccc2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6968 |
| logD: | 2.6827 |
| logSw: | -3.1992 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.541 |
| InChI Key: | GYLMJMNLAQEHRL-QFIPXVFZSA-N |