1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | C527-1600 |
| Compound Name: | 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 532.06 |
| Molecular Formula: | C26 H30 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CS(Cc1c(C)oc(c2ccc(c(c2)OC)OC)n1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7193 |
| logD: | 3.7193 |
| logSw: | -4.1749 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.746 |
| InChI Key: | GWXDPUOFPKCQMT-UHFFFAOYSA-N |