1-(4-benzylpiperazin-1-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | C527-0685 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc(CS(CC(N2CCN(CC2)Cc2ccccc2)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9972 |
| logD: | 2.9763 |
| logSw: | -3.2163 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.066 |
| InChI Key: | BYSDJMCQGLIXQT-UHFFFAOYSA-N |