3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-8246 |
| Compound Name: | 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 397.36 |
| Molecular Formula: | C20 H16 F N3 O5 |
| Smiles: | C1CN(CCN1C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.8668 |
| logD: | 2.8668 |
| logSw: | -3.5033 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.149 |
| InChI Key: | NIWVQHPFESZLQO-UHFFFAOYSA-N |