1-benzyl-3-{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
1-benzyl-3-{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0580 |
| Compound Name: | 1-benzyl-3-{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyrrolidin-2-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | C1CN(CCN(C1)C(c1cc(c2cccs2)n[nH]1)=O)C1CCN(Cc2ccccc2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7581 |
| logD: | 2.7535 |
| logSw: | -3.1712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.077 |
| InChI Key: | IENRUAOIHULQMP-NRFANRHFSA-N |