4-[4-(dimethylamino)anilino]-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[4-(dimethylamino)anilino]-3-nitro-2H-1-benzopyran-2-one
4-[4-(dimethylamino)anilino]-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-2370 |
| Compound Name: | 4-[4-(dimethylamino)anilino]-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | CN(C)c1ccc(cc1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0083 |
| logD: | 0.889 |
| logSw: | -3.8518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.376 |
| InChI Key: | ATFSMNNRUVJXKS-UHFFFAOYSA-N |