methyl 2-{[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D337-1552 |
| Compound Name: | methyl 2-{[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | [H]N(C(c1cc(c2ccc(C)c(C)c2)on1)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4589 |
| logD: | 3.1584 |
| logSw: | -5.4002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.754 |
| InChI Key: | QYHVAFUYKKUVRK-UHFFFAOYSA-N |