2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-9783 |
| Compound Name: | 2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 568.73 |
| Molecular Formula: | C31 H40 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.885 |
| logD: | 5.8848 |
| logSw: | -5.3117 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.82 |
| InChI Key: | RRKBHLCBHUOOHN-UHFFFAOYSA-N |