N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0628 |
| Compound Name: | N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C20 H25 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9208 |
| logD: | 0.92 |
| logSw: | -2.1048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.193 |
| InChI Key: | ANKHULPPHZPTMX-UHFFFAOYSA-N |