3-(4-fluorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-6-carboxamide
Chemical Structure Depiction of
3-(4-fluorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-6-carboxamide
3-(4-fluorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | C566-0345 |
| Compound Name: | 3-(4-fluorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-6-carboxamide |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C24 H18 F N O6 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(C=C(C(=O)O3)S(c3ccc(cc3)F)(=O)=O)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5174 |
| logD: | 3.5174 |
| logSw: | -3.8735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.618 |
| InChI Key: | JTVNACSQHSCYPG-UHFFFAOYSA-N |