methyl 5-[2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate
methyl 5-[2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0080 |
| Compound Name: | methyl 5-[2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C26 H28 N2 O6 S |
| Smiles: | CCOc1c2cc(ccc2sc1C(=O)OC)NC(CN1C(COc2ccc(cc12)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1084 |
| logD: | 5.1084 |
| logSw: | -5.0488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.435 |
| InChI Key: | AFKBLBYPBUIMIL-UHFFFAOYSA-N |