N-[4-(azepane-1-sulfonyl)phenyl]-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1515 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(CC)ccc2O1)=O)=O)c1ccc(cc1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7201 |
| logD: | 4.682 |
| logSw: | -4.4016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.19 |
| InChI Key: | FRWXGAXEUFOTGA-UHFFFAOYSA-N |