1-{4-[3-(1H-indol-3-yl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(1H-indol-3-yl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[3-(1H-indol-3-yl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0722 |
| Compound Name: | 1-{4-[3-(1H-indol-3-yl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C20 H23 N3 O2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(CCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3319 |
| logD: | 2.3319 |
| logSw: | -2.6347 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.762 |
| InChI Key: | LIRIXYJYRARFEN-UHFFFAOYSA-N |