N-(2,5-diethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-diethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(2,5-diethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0720 |
| Compound Name: | N-(2,5-diethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C21 H27 N3 O5 |
| Smiles: | CCOc1ccc(c(c1)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0326 |
| logD: | 2.0316 |
| logSw: | -2.8922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.852 |
| InChI Key: | AULMWYLNJMTAJS-UHFFFAOYSA-N |