N-(3-acetylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(3-acetylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | K906-3045 |
| Compound Name: | N-(3-acetylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | CC(c1cccc(c1)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2811 |
| logD: | 1.2809 |
| logSw: | -2.1657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.042 |
| InChI Key: | HMEXJQAPYGVRQI-UHFFFAOYSA-N |