5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V020-5330 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C24 H30 N2 O4 |
| Salt: | not_available |
| Smiles: | CC(C)=CC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5552 |
| logD: | 3.5548 |
| logSw: | -3.5874 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.083 |
| InChI Key: | LCQQIFZROGIHGA-UHFFFAOYSA-N |