methyl 6-tert-butyl-2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-2825 |
| Compound Name: | methyl 6-tert-butyl-2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 343.87 |
| Molecular Formula: | C16 H22 Cl N O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(C[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1008 |
| logD: | 0.5965 |
| logSw: | -4.3543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.277 |
| InChI Key: | LEXHZPQATFJOEJ-SECBINFHSA-N |