3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8015-0548 |
| Compound Name: | 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 427.39 |
| Molecular Formula: | C21 H18 F N3 O6 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)c3ccccc3F)=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8458 |
| logD: | 2.8458 |
| logSw: | -3.526 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.464 |
| InChI Key: | OSYLZKCYPVYXDU-UHFFFAOYSA-N |