2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0814 |
| Compound Name: | 2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C29 H36 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3909 |
| logD: | 5.3908 |
| logSw: | -5.2251 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.82 |
| InChI Key: | ODWRJGOQWUKQPO-UHFFFAOYSA-N |