2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C527-1606 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | Cc1c(CS(CC(N2CCN(C)CC2)=O)=O)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 0.6195 |
| logD: | 0.45 |
| logSw: | -2.1445 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.263 |
| InChI Key: | ILHIQIMKWYCQMF-UHFFFAOYSA-N |