6-bromo-2-[(4-cyanophenyl)imino]-N-phenyl-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-2-[(4-cyanophenyl)imino]-N-phenyl-2H-1-benzopyran-3-carboxamide
6-bromo-2-[(4-cyanophenyl)imino]-N-phenyl-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1319-0081 |
| Compound Name: | 6-bromo-2-[(4-cyanophenyl)imino]-N-phenyl-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 444.29 |
| Molecular Formula: | C23 H14 Br N3 O2 |
| Smiles: | C1=C(/C(=N/c2ccc(C#N)cc2)Oc2ccc(cc12)[Br])C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 4.6299 |
| logSw: | -4.8796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.092 |
| InChI Key: | KTLNRAOEESBNJO-UHFFFAOYSA-N |