4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | C906-0072 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C24 H25 N3 O4 |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1762 |
| logD: | 3.1708 |
| logSw: | -3.4731 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.439 |
| InChI Key: | PQCHPBRITMPBOT-UHFFFAOYSA-N |