2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C527-1619 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CCN1CCN(CC1)C(CS(Cc1c(C)oc(c2ccc(c(c2)OC)OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9642 |
| logD: | 0.7389 |
| logSw: | -2.2391 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.323 |
| InChI Key: | TVRKUXBHIUYEOW-UHFFFAOYSA-N |