methyl 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
methyl 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y203-0057 |
| Compound Name: | methyl 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 252.37 |
| Molecular Formula: | C14 H20 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C1)cc(C(=O)OC)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7004 |
| logD: | 4.7004 |
| logSw: | -4.4802 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3512 |
| InChI Key: | VZMTURSXSFGPGI-SNVBAGLBSA-N |