N-[4-(azepane-1-sulfonyl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
Compound ID: | D103-2333 |
Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
Molecular Weight: | 426.49 |
Molecular Formula: | C22 H22 N2 O5 S |
Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1ccc(cc1)S(N1CCCCCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6835 |
logD: | 3.6453 |
logSw: | -4.0608 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.19 |
InChI Key: | VCOLOHCYZMRSQR-UHFFFAOYSA-N |