N-[4-(azepane-1-sulfonyl)phenyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1851 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1ccc(cc1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7567 |
| logD: | 4.7492 |
| logSw: | -4.3591 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.874 |
| InChI Key: | QBOOVTWYMGZLGS-UHFFFAOYSA-N |