ethyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D337-1340 |
| Compound Name: | ethyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-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)OCC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5069 |
| logD: | 1.1858 |
| logSw: | -4.0295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.523 |
| InChI Key: | HFQVAXNSHIVVNR-UHFFFAOYSA-N |