N-benzyl-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-benzyl-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-benzyl-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0734 |
| Compound Name: | N-benzyl-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C18 H21 N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2405 |
| logD: | 1.2403 |
| logSw: | -1.8007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.538 |
| InChI Key: | CHSIUGPLTRCZJX-UHFFFAOYSA-N |