ethyl 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carboxylate
ethyl 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C748-1168 |
| Compound Name: | ethyl 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carboxylate |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C22 H27 Cl N4 O4 |
| Smiles: | CCOC(N1CCN(CC1)C1=C(C(C1=O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9329 |
| logD: | 3.9326 |
| logSw: | -4.147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.535 |
| InChI Key: | IZPSPRBRRWXLAP-UHFFFAOYSA-N |