N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-phenyl-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-phenyl-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-phenyl-beta-alaninamide
Compound characteristics
Compound ID: | F535-0231 |
Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-phenyl-beta-alaninamide |
Molecular Weight: | 418.51 |
Molecular Formula: | C20 H26 N4 O4 S |
Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccccc1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5712 |
logD: | 1.5701 |
logSw: | -2.3922 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 92.79 |
InChI Key: | YRJMSMNZNDJUHX-UHFFFAOYSA-N |