5-[(3,5-dimethylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3921 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 546.66 |
| Molecular Formula: | C26 H30 N2 O7 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3ccc(cc3)S(C)(=O)=O)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7755 |
| logD: | 2.7754 |
| logSw: | -3.1483 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 95.151 |
| InChI Key: | RQMIIEOYTSBSCP-UHFFFAOYSA-N |