4-(benzylamino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(benzylamino)-3-nitro-2H-1-benzopyran-2-one
4-(benzylamino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0027 |
| Compound Name: | 4-(benzylamino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C16 H12 N2 O4 |
| Smiles: | C(c1ccccc1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4821 |
| logD: | 1.0161 |
| logSw: | -3.203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.893 |
| InChI Key: | DLBIJZSVHCCMOX-UHFFFAOYSA-N |