5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(4-pentylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(4-pentylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(4-pentylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-2773 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(4-pentylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C30 H38 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4823 |
| logD: | 6.4821 |
| logSw: | -5.4024 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | LVMLGLYXFJNKTK-UHFFFAOYSA-N |