N-acetyl-2-[(3-methylphenyl)imino]-6-nitro-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-acetyl-2-[(3-methylphenyl)imino]-6-nitro-2H-1-benzopyran-3-carboxamide
N-acetyl-2-[(3-methylphenyl)imino]-6-nitro-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4534 |
| Compound Name: | N-acetyl-2-[(3-methylphenyl)imino]-6-nitro-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 365.34 |
| Molecular Formula: | C19 H15 N3 O5 |
| Smiles: | CC(NC(C1=Cc2cc(ccc2OC/1=N/c1cccc(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6645 |
| logD: | 2.6276 |
| logSw: | -3.0332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.767 |
| InChI Key: | RSUPHIJQAQQFNH-UHFFFAOYSA-N |