5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,4,6-trichlorobenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,4,6-trichlorobenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,4,6-trichlorobenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V031-2647 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,4,6-trichlorobenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 535.85 |
| Molecular Formula: | C26 H25 Cl3 N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3c(cc(cc3[Cl])[Cl])[Cl])=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6439 |
| logD: | 5.6436 |
| logSw: | -6.4809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | FZAHQSGUIRTNGU-UHFFFAOYSA-N |