N-{2-chloro-4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-chloro-4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
N-{2-chloro-4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | V006-3781 |
| Compound Name: | N-{2-chloro-4-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C27 H30 Cl N3 O6 S |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1[Cl])S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3292 |
| logD: | 3.305 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.966 |
| InChI Key: | NQSCUBWDITYQDL-UHFFFAOYSA-N |