1-[(4-fluorophenyl)methyl]-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-[(4-fluorophenyl)methyl]-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0797 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C22 H26 F N3 O2 S |
| Smiles: | Cc1ccsc1C(N1CCCN(CC1)C1CCN(Cc2ccc(cc2)F)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.651 |
| logD: | 2.6468 |
| logSw: | -2.6649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.587 |
| InChI Key: | MVBNATCMIACJNO-IBGZPJMESA-N |