3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-6491 |
| Compound Name: | 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.82 |
| Molecular Formula: | C20 H16 Cl N3 O5 |
| Smiles: | C1CN(CCN1C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2719 |
| logD: | 3.2719 |
| logSw: | -3.7294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.45 |
| InChI Key: | GNRCRYRWOVTYNE-UHFFFAOYSA-N |