N-acetyl-6-bromo-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-6-bromo-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-2H-1-benzopyran-3-carboxamide
N-acetyl-6-bromo-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K025-0155A |
| Compound Name: | N-acetyl-6-bromo-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C19 H11 Br Cl F3 N2 O3 |
| Smiles: | CC(NC(C1=Cc2cc(ccc2OC/1=N/c1cc(ccc1[Cl])C(F)(F)F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0698 |
| logD: | 4.0329 |
| logSw: | -4.6181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.688 |
| InChI Key: | SPLYQKMMPZMFAJ-UHFFFAOYSA-N |