N-(3,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(3,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
Compound ID: | E144-0537 |
Compound Name: | N-(3,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
Molecular Weight: | 373.41 |
Molecular Formula: | C19 H23 N3 O5 |
Smiles: | COc1ccc(cc1OC)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
Stereo: | ACHIRAL |
logP: | 1.0751 |
logD: | 1.075 |
logSw: | -2.2162 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.476 |
InChI Key: | JESCBEQAODVNKM-UHFFFAOYSA-N |