1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0636 |
| Compound Name: | 1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one |
| Molecular Weight: | 300.36 |
| Molecular Formula: | C17 H20 N2 O3 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6728 |
| logD: | 1.6728 |
| logSw: | -1.8806 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.962 |
| InChI Key: | JLEYEYAHYBKLND-UHFFFAOYSA-N |