ethyl 4-[2-(butylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(butylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
ethyl 4-[2-(butylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C748-1331 |
| Compound Name: | ethyl 4-[2-(butylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate |
| Molecular Weight: | 309.36 |
| Molecular Formula: | C15 H23 N3 O4 |
| Smiles: | CCCCNC1=C(C(C1=O)=O)N1CCN(CC1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 1.7766 |
| logD: | 1.7756 |
| logSw: | -1.7337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.752 |
| InChI Key: | NUOOXNHGOIZVBS-UHFFFAOYSA-N |