N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | E144-0571 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alaninamide |
| Molecular Weight: | 407.85 |
| Molecular Formula: | C19 H22 Cl N3 O5 |
| Smiles: | COc1cc(c(cc1NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 1.839 |
| logD: | 1.8221 |
| logSw: | -2.8569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.779 |
| InChI Key: | MIDHSCUXJDZXCA-UHFFFAOYSA-N |