ethyl 4-(2-{[(4-chlorophenyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[(4-chlorophenyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
ethyl 4-(2-{[(4-chlorophenyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C748-1371 |
| Compound Name: | ethyl 4-(2-{[(4-chlorophenyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C18 H20 Cl N3 O4 |
| Smiles: | CCOC(N1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3873 |
| logD: | 2.3732 |
| logSw: | -3.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.639 |
| InChI Key: | PPBVDBLEWHDLMP-UHFFFAOYSA-N |