methyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D337-1325 |
| Compound Name: | methyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5348 |
| logD: | 1.2343 |
| logSw: | -4.0874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.577 |
| InChI Key: | FAAGLDLCAQPKTJ-UHFFFAOYSA-N |