4-[4-(but-2-ynoyl)piperazine-1-carbonyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(but-2-ynoyl)piperazine-1-carbonyl]phthalazin-1(2H)-one
4-[4-(but-2-ynoyl)piperazine-1-carbonyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | T002-0306 |
| Compound Name: | 4-[4-(but-2-ynoyl)piperazine-1-carbonyl]phthalazin-1(2H)-one |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C17 H16 N4 O3 |
| Smiles: | CC#CC(N1CCN(CC1)C(C1c2ccccc2C(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6306 |
| logD: | 0.2423 |
| logSw: | -2.1031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.478 |
| InChI Key: | ISLZVOJWNJUQFD-UHFFFAOYSA-N |