3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-0326 |
| Compound Name: | 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 443.84 |
| Molecular Formula: | C21 H18 Cl N3 O6 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2509 |
| logD: | 3.2509 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.765 |
| InChI Key: | OAXZEWXIMHYGTH-UHFFFAOYSA-N |