N-acetyl-6-bromo-2-[(3-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-6-bromo-2-[(3-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
N-acetyl-6-bromo-2-[(3-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1319-0034 |
| Compound Name: | N-acetyl-6-bromo-2-[(3-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 410.22 |
| Molecular Formula: | C19 H12 Br N3 O3 |
| Smiles: | CC(NC(C1=Cc2cc(ccc2OC/1=N/c1cccc(C#N)c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6147 |
| logD: | 2.5777 |
| logSw: | -3.1746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.442 |
| InChI Key: | BYRVMQXBPLNKFZ-UHFFFAOYSA-N |