N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0690 |
| Compound Name: | N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3-fluoro-4-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C18 H20 F N3 O3 |
| Smiles: | Cc1ccc(cc1F)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.19 |
| logD: | 2.1896 |
| logSw: | -2.8706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.216 |
| InChI Key: | PMNNLVSVYGVPJL-UHFFFAOYSA-N |