methyl 2-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 2-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 4488-2006 |
| Compound Name: | methyl 2-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CC(Nc1c(C(Nc2ccccc2C(=O)OC)=O)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8708 |
| logD: | 4.7902 |
| logSw: | -4.7153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.783 |
| InChI Key: | BOOHHCJJJPERDK-CQSZACIVSA-N |