ethyl 4-(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-carboxylate
ethyl 4-(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8016-0169 |
| Compound Name: | ethyl 4-(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 405.36 |
| Molecular Formula: | C18 H19 N3 O8 |
| Smiles: | CCOC(N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5698 |
| logD: | 1.5698 |
| logSw: | -1.9254 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.285 |
| InChI Key: | XJXCHJKUGDEZID-UHFFFAOYSA-N |