1-{4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0717 |
| Compound Name: | 1-{4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 354.33 |
| Molecular Formula: | C17 H17 F3 N2 O3 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8816 |
| logD: | 2.8816 |
| logSw: | -3.1488 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.355 |
| InChI Key: | JZKFLWPFNATAPZ-UHFFFAOYSA-N |