1-[(4-fluorophenyl)methyl]-3-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-[(4-fluorophenyl)methyl]-3-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0976 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C23 H28 F N3 O3 S |
| Smiles: | Cc1ccccc1S(N1CCCN(CC1)C1CCN(Cc2ccc(cc2)F)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5036 |
| logD: | 2.5034 |
| logSw: | -2.4731 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.632 |
| InChI Key: | JIJRGUBZMUHJRB-NRFANRHFSA-N |