methyl 6-tert-butyl-2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0978 |
| Compound Name: | methyl 6-tert-butyl-2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | Cc1cccc(c1)C(Nc1c(C(=O)OC)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6855 |
| logD: | 1.5127 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.218 |
| InChI Key: | GPZSMHSUQSNADU-OAHLLOKOSA-N |