ethyl 2-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7380-0029 |
| Compound Name: | ethyl 2-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7328 |
| logD: | 0.801 |
| logSw: | -4.2568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.663 |
| InChI Key: | YUNJFUJPALBAFD-UHFFFAOYSA-N |