2-{[4-(2,6-dichlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,6-dichlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,6-dichlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3997 |
| Compound Name: | 2-{[4-(2,6-dichlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 577.41 |
| Molecular Formula: | C24 H21 Cl2 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)S(c1c(cccc1[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.206 |
| logD: | 4.2059 |
| logSw: | -4.4087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | CKTYEKDCIFNSHF-UHFFFAOYSA-N |