methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D337-1097 |
| Compound Name: | methyl 2-{[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | [H]N(C(c1cc(c2ccc3c(CC(C)O3)c2)on1)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9455 |
| logD: | 2.645 |
| logSw: | -4.7968 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.155 |
| InChI Key: | IFHSSEGQACOMOV-GFCCVEGCSA-N |