7-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
Compound ID: | D491-2374 |
Compound Name: | 7-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
Molecular Weight: | 475.77 |
Molecular Formula: | C22 H20 Br Cl N2 O3 |
Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCC1)C(C1=CC(c2ccc(cc2O1)[Br])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.591 |
logD: | 4.1492 |
logSw: | -4.6553 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.826 |
InChI Key: | ZACKNKWMOJTTRC-SFHVURJKSA-N |