3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8014-1158 |
| Compound Name: | 3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3693 |
| logD: | 2.3487 |
| logSw: | -3.0236 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.73 |
| InChI Key: | QMJLJUUXPDNSKB-UHFFFAOYSA-N |