1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]but-2-yn-1-one
1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0109 |
| Compound Name: | 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]but-2-yn-1-one |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C17 H20 N2 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1cccc(c1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4095 |
| logD: | 1.4095 |
| logSw: | -1.9719 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.435 |
| InChI Key: | XBSLHMGQBDVTAO-UHFFFAOYSA-N |