N-{3-[benzyl(butyl)amino]propyl}-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-{3-[benzyl(butyl)amino]propyl}-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-1704 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 541.71 |
| Molecular Formula: | C29 H39 N3 O5 S |
| Smiles: | CCCCN(CCCNC(CS(Cc1c(C)oc(c2ccc(c(c2)OC)OC)n1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.425 |
| logD: | 1.8059 |
| logSw: | -3.7033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.647 |
| InChI Key: | UZRCUIWUCJSVBY-UHFFFAOYSA-N |