N-[(2-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
N-[(2-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C906-0035 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C23 H22 Cl N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2552 |
| logD: | 3.2498 |
| logSw: | -3.673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.638 |
| InChI Key: | GFEDFVOBPPZCTA-UHFFFAOYSA-N |