N-[(4-chlorophenyl)methyl]-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-[(4-chlorophenyl)methyl]-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0773 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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: | C1CCN(C1)C1=C(C(C1=O)=O)NCCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8352 |
| logD: | 1.835 |
| logSw: | -2.8022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.538 |
| InChI Key: | VGLAEMNQBDYWOC-UHFFFAOYSA-N |