ethyl 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
ethyl 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C738-0101 |
| Compound Name: | ethyl 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C22 H26 Cl N3 O4 |
| Smiles: | CCOC(C1CCCN(C1)C1=C(C(C1=O)=O)N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.532 |
| logD: | 3.532 |
| logSw: | -3.6221 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.743 |
| InChI Key: | NANQHRCKQSLPOU-HNNXBMFYSA-N |