ethyl 4-(2-{[2-(4-methylphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[2-(4-methylphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
ethyl 4-(2-{[2-(4-methylphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K906-2229 |
| Compound Name: | ethyl 4-(2-{[2-(4-methylphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate |
| Molecular Weight: | 371.43 |
| Molecular Formula: | C20 H25 N3 O4 |
| Smiles: | CCOC(N1CCN(CC1)C1=C(C(C1=O)=O)NCCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.321 |
| logD: | 2.3206 |
| logSw: | -2.7682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.48 |
| InChI Key: | PTSHQPLYXFHBEC-UHFFFAOYSA-N |