N-(3,5-dimethylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
N-(3,5-dimethylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C906-0116 |
| Compound Name: | N-(3,5-dimethylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5002 |
| logD: | 3.4948 |
| logSw: | -3.6602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.316 |
| InChI Key: | RSBLWAPNOZVGEH-UHFFFAOYSA-N |