ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3002-0215 |
| Compound Name: | ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 490.37 |
| Molecular Formula: | C22 H20 Br N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1697 |
| logD: | 0.2271 |
| logSw: | -5.2487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.72 |
| InChI Key: | DDFVVHQTTGXCAO-LLVKDONJSA-N |