N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
Compound ID: | E144-0664 |
Compound Name: | N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
Molecular Weight: | 359.45 |
Molecular Formula: | C18 H21 N3 O3 S |
Smiles: | CSc1cccc(c1)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O |
Stereo: | ACHIRAL |
logP: | 2.0011 |
logD: | 2.001 |
logSw: | -2.8449 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.216 |
InChI Key: | PMXZHKOSTYITCA-UHFFFAOYSA-N |