5-[(2-chlorophenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V031-2600 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-[(4-{3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 548.95 |
| Molecular Formula: | C27 H24 Cl F3 N2 O5 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)C(/C=C/c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7494 |
| logD: | 4.7491 |
| logSw: | -5.0106 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.749 |
| InChI Key: | ULTLKPNTRQWGHX-JXMROGBWSA-N |