8-methoxy-3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
8-methoxy-3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-8180 |
| Compound Name: | 8-methoxy-3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C16 H17 N3 O6 |
| Smiles: | CN1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8501 |
| logD: | 0.6819 |
| logSw: | -1.4021 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.981 |
| InChI Key: | NRJVTKNWSPECFC-UHFFFAOYSA-N |