1-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]but-2-yn-1-one
1-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0119 |
| Compound Name: | 1-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]but-2-yn-1-one |
| Molecular Weight: | 308.74 |
| Molecular Formula: | C15 H14 Cl F N2 O2 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1cc(ccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3228 |
| logD: | 2.3228 |
| logSw: | -3.3288 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.087 |
| InChI Key: | DNSYLMYMGYOPEY-UHFFFAOYSA-N |