5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0799 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 440.58 |
| Molecular Formula: | C26 H36 N2 O4 |
| Salt: | not_available |
| Smiles: | CCCCCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7507 |
| logD: | 4.75 |
| logSw: | -4.5018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.083 |
| InChI Key: | ZTFSHMASHUDOHY-UHFFFAOYSA-N |