N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(4-fluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(4-fluorophenyl)-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(4-fluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0059 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(4-fluorophenyl)-beta-alaninamide |
| Molecular Weight: | 436.5 |
| Molecular Formula: | C20 H25 F N4 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.792 |
| logD: | 1.7909 |
| logSw: | -2.607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.79 |
| InChI Key: | CWQCFLBIZUFJFG-UHFFFAOYSA-N |