ethyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1258 |
| Compound Name: | ethyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(C1=Cc2ccccc2C(=O)O1)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6982 |
| logD: | 1.7314 |
| logSw: | -5.4992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.205 |
| InChI Key: | PBKWRDPVAIOVMN-OAHLLOKOSA-N |