1-{4-[(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0741 |
| Compound Name: | 1-{4-[(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 318.8 |
| Molecular Formula: | C17 H19 Cl N2 O2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6831 |
| logD: | 2.6831 |
| logSw: | -3.2229 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.891 |
| InChI Key: | XFFSKROFPRJONF-UHFFFAOYSA-N |