2-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E613-0091 |
| Compound Name: | 2-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(COCc1cc(c3ccc4c(c3)OCO4)on1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.3242 |
| logD: | 1.7246 |
| logSw: | -3.0852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.47 |
| InChI Key: | DHHCIYDWTYJBCS-UHFFFAOYSA-N |