2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethan-1-one
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C527-1599 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 511.64 |
| Molecular Formula: | C27 H33 N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CS(Cc1c(C)oc(c2ccc(c(c2)OC)OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5947 |
| logD: | 3.5946 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.746 |
| InChI Key: | JANOBJKDCWCOQF-UHFFFAOYSA-N |