4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)benzamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | C906-0086 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C25 H27 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1878 |
| logD: | 2.1719 |
| logSw: | -3.0449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.294 |
| InChI Key: | MHKYUIURTUTHOG-UHFFFAOYSA-N |