2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-9240 |
| Compound Name: | 2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 533.04 |
| Molecular Formula: | C26 H29 Cl N2 O6 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3cc(ccc3OC)[Cl])(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2383 |
| logD: | 4.2381 |
| logSw: | -4.4921 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.032 |
| InChI Key: | MTDCRPQBAVRVET-UHFFFAOYSA-N |