ethyl 1-(1,1-dichloro-3-{1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-3-nitroprop-1-en-2-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(1,1-dichloro-3-{1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-3-nitroprop-1-en-2-yl)piperidine-4-carboxylate
ethyl 1-(1,1-dichloro-3-{1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-3-nitroprop-1-en-2-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | 4872-0261 |
| Compound Name: | ethyl 1-(1,1-dichloro-3-{1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-3-nitroprop-1-en-2-yl)piperidine-4-carboxylate |
| Molecular Weight: | 504.8 |
| Molecular Formula: | C20 H24 Cl3 N5 O4 |
| Smiles: | CCOC(C1CCN(CC1)C(/C(=C1/NCCN1Cc1ccc(nc1)[Cl])[N+]([O-])=O)=C([Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5377 |
| logD: | 3.5373 |
| logSw: | -3.69 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.007 |
| InChI Key: | RUQOMERDJNFONA-UHFFFAOYSA-N |