1-{4-[(2-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(2-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[(2-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0638 |
| Compound Name: | 1-{4-[(2-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CC#CC(N1CCCN(CC1)C(Cc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0858 |
| logD: | 2.0858 |
| logSw: | -2.2524 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.521 |
| InChI Key: | XLDHUSQYSAGQEX-UHFFFAOYSA-N |