2-{[4-(5-chloronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-chloronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-chloronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0825 |
| Compound Name: | 2-{[4-(5-chloronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 543.01 |
| Molecular Formula: | C27 H24 Cl F N2 O5 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)F)=O)S(c1ccc2c(cccc2c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4965 |
| logD: | 4.4964 |
| logSw: | -4.6287 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.13 |
| InChI Key: | JESDDEKAVPTXET-UHFFFAOYSA-N |