N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1319-0037 |
| Compound Name: | N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 403.21 |
| Molecular Formula: | C18 H12 Br F N2 O3 |
| Smiles: | CC(NC(C1=Cc2cc(ccc2OC/1=N/c1ccc(cc1)F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7896 |
| logD: | 2.7526 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.386 |
| InChI Key: | IOPSZTLTFQFECA-UHFFFAOYSA-N |