4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
Chemical Structure Depiction of
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | C038-0055 |
| Compound Name: | 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | C1CN(CCN1C(C1=COC(c2ccccc12)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3151 |
| logD: | 2.3151 |
| logSw: | -2.7845 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.112 |
| InChI Key: | LSEUXZBNXSFQJA-UHFFFAOYSA-N |