N-[2-chloro-5-(trifluoromethyl)phenyl]-2-imino-6-nitro-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-imino-6-nitro-2H-1-benzopyran-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-imino-6-nitro-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y205-5397 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-imino-6-nitro-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 411.72 |
| Molecular Formula: | C17 H9 Cl F3 N3 O4 |
| Smiles: | C1=C(C(=N)Oc2ccc(cc12)[N+]([O-])=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1263 |
| logD: | 3.0213 |
| logSw: | -4.6982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.251 |
| InChI Key: | XHUAWKYJWHUFRV-UHFFFAOYSA-N |