N-(4-chlorophenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(4-chlorophenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0569 |
| Compound Name: | N-(4-chlorophenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C17 H18 Cl N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1349 |
| logD: | 2.1347 |
| logSw: | -3.1668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.216 |
| InChI Key: | XJMLKSXGHFNDOS-UHFFFAOYSA-N |