ethyl 1-[2-(3-methylanilino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-methylanilino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate
ethyl 1-[2-(3-methylanilino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C667-0332 |
| Compound Name: | ethyl 1-[2-(3-methylanilino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C19 H22 N2 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9635 |
| logD: | 2.9523 |
| logSw: | -3.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.29 |
| InChI Key: | ITCVEZWOHUJRGU-UHFFFAOYSA-N |