5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1499 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 524.68 |
| Molecular Formula: | C29 H36 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3c(C)c(C)cc(C)c3C)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5914 |
| logD: | 5.5913 |
| logSw: | -5.3103 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.402 |
| InChI Key: | HYBDSPYVUNXGIV-UHFFFAOYSA-N |