methyl 2-(4-tert-butylbenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-tert-butylbenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(4-tert-butylbenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0742 |
| Compound Name: | methyl 2-(4-tert-butylbenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3ccc(cc3)C(C)(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9856 |
| logD: | 2.2505 |
| logSw: | -5.6516 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.218 |
| InChI Key: | GLIJSWFQVFZFEG-CYBMUJFWSA-N |