4-(3,4-dimethylanilino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(3,4-dimethylanilino)-3-nitro-2H-1-benzopyran-2-one
4-(3,4-dimethylanilino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-2198 |
| Compound Name: | 4-(3,4-dimethylanilino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C17 H14 N2 O4 |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9057 |
| logD: | 2.0216 |
| logSw: | -4.1168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.571 |
| InChI Key: | YJNIAXRTAVSJHJ-UHFFFAOYSA-N |