2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3745 |
| Compound Name: | 2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 521.01 |
| Molecular Formula: | C25 H26 Cl F N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccc(c(c3)[Cl])F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4546 |
| logD: | 4.4545 |
| logSw: | -4.5008 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | NHCCJVHTNCGHFG-UHFFFAOYSA-N |