methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D337-1114 |
| Compound Name: | methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | [H]N(C(c1cc(c2ccc3c(CC(C)O3)c2)on1)=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5352 |
| logD: | 2.2142 |
| logSw: | -4.5306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | KBSQRMUMSHCBRE-LLVKDONJSA-N |