2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | E613-0101 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CCc1c(C#N)c(NC(COCc2cc(c3ccc4c(c3)OCO4)on2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.0374 |
| logD: | 2.4898 |
| logSw: | -4.276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.547 |
| InChI Key: | CPURBWHFBQEMBC-UHFFFAOYSA-N |