2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-3008 |
| Compound Name: | 2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 527.4 |
| Molecular Formula: | C23 H21 Cl2 F N2 O5 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.629 |
| logD: | 3.6288 |
| logSw: | -3.8827 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | MBABAEFERRCIFM-UHFFFAOYSA-N |