2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1555 |
| Compound Name: | 2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 522.98 |
| Molecular Formula: | C24 H24 Cl F N2 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)F)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9669 |
| logD: | 2.9667 |
| logSw: | -3.3718 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.032 |
| InChI Key: | PNMDMKBQRHFJDT-UHFFFAOYSA-N |