3-nitro-4-({[4-(propan-2-yl)phenyl]methyl}amino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-({[4-(propan-2-yl)phenyl]methyl}amino)-2H-1-benzopyran-2-one
3-nitro-4-({[4-(propan-2-yl)phenyl]methyl}amino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8009-0672 |
| Compound Name: | 3-nitro-4-({[4-(propan-2-yl)phenyl]methyl}amino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C19 H18 N2 O4 |
| Smiles: | CC(C)c1ccc(CNC2=C(C(=O)Oc3ccccc23)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8203 |
| logD: | 2.3542 |
| logSw: | -4.1077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.893 |
| InChI Key: | DMSLJFDRSFTHFP-UHFFFAOYSA-N |