5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | Y043-2312 |
| Compound Name: | 5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C22 H28 N2 O4 |
| Smiles: | CC(C)(C)C(COC1=COC(CN2CCN(CC2)c2ccccc2)=CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7363 |
| logD: | 2.7336 |
| logSw: | -3.0061 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.662 |
| InChI Key: | DXVRBLCDFSSRDZ-UHFFFAOYSA-N |