5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V009-0301 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C29 H30 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccc4ccccc4c3)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0773 |
| logD: | 5.0771 |
| logSw: | -5.5437 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.13 |
| InChI Key: | LFEVYDAMZDCOOA-UHFFFAOYSA-N |