3-[4-(but-2-ynoyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(but-2-ynoyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(but-2-ynoyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | T002-0239 |
| Compound Name: | 3-[4-(but-2-ynoyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4082 |
| logD: | 1.4082 |
| logSw: | -1.7308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.009 |
| InChI Key: | RKKOIGYGCUHBRP-UHFFFAOYSA-N |