N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0515 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C28 H17 F N2 O5 S |
| Smiles: | c1ccc(cc1)C1=C(C(Nc2cc(cc(c2)Sc2ccc(cc2)F)[N+]([O-])=O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4669 |
| logD: | 6.4661 |
| logSw: | -6.1911 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.169 |
| InChI Key: | LPNKPSANWRSZGC-UHFFFAOYSA-N |