N-acetyl-6,8-dichloro-2-[(4-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-6,8-dichloro-2-[(4-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
N-acetyl-6,8-dichloro-2-[(4-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1319-0041 |
| Compound Name: | N-acetyl-6,8-dichloro-2-[(4-cyanophenyl)imino]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 400.22 |
| Molecular Formula: | C19 H11 Cl2 N3 O3 |
| Smiles: | CC(NC(C1=Cc2cc(cc(c2OC/1=N/c1ccc(C#N)cc1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9853 |
| logD: | 2.9483 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.126 |
| InChI Key: | NNRDFSHBVFUVTO-UHFFFAOYSA-N |