N-(2,3-dimethylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(2,3-dimethylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0586 |
| Compound Name: | N-(2,3-dimethylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C19 H23 N3 O3 |
| Smiles: | Cc1cccc(c1C)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1707 |
| logD: | 2.1706 |
| logSw: | -2.609 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.518 |
| InChI Key: | CZQCQBIQNNXIKR-UHFFFAOYSA-N |