5-[(2-chlorophenyl)methoxy]-2-{[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-{[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-{[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0740 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-{[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C23 H29 Cl N2 O4 |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3382 |
| logD: | 3.3375 |
| logSw: | -3.4087 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.083 |
| InChI Key: | NOCDCPDRHHZNCX-UHFFFAOYSA-N |