1-[(4-fluorophenyl)methyl]-3-{4-[(thiophen-3-yl)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-{4-[(thiophen-3-yl)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-[(4-fluorophenyl)methyl]-3-{4-[(thiophen-3-yl)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0817 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-{4-[(thiophen-3-yl)acetyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C22 H26 F N3 O2 S |
| Smiles: | C1CN(CCN(C1)C(Cc1ccsc1)=O)C1CCN(Cc2ccc(cc2)F)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1795 |
| logD: | 2.1641 |
| logSw: | -2.3421 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.06 |
| InChI Key: | OERMPKMNNIWBET-FQEVSTJZSA-N |