N-(3-chloro-4-methylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(3-chloro-4-methylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0729 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 361.83 |
| Molecular Formula: | C18 H20 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9304 |
| logD: | 2.93 |
| logSw: | -3.5048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.216 |
| InChI Key: | JSMUKDRJOJQFQY-UHFFFAOYSA-N |