N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 3720-0946 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C17 H11 Cl N2 O5 |
| Smiles: | Cc1ccc(cc1[Cl])NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.233 |
| logD: | 4.1142 |
| logSw: | -4.6796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.633 |
| InChI Key: | YPMHUEOXFONJSR-UHFFFAOYSA-N |