methyl 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzoate
methyl 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzoate
Compound characteristics
| Compound ID: | V008-3091 |
| Compound Name: | methyl 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzoate |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C27 H30 N2 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccccc3C(=O)OC)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.822 |
| logD: | 3.8219 |
| logSw: | -3.9623 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 86.576 |
| InChI Key: | ZAJWJHMCUJSCAA-UHFFFAOYSA-N |