N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0533 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C22 H29 F N4 O4 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7795 |
| logD: | 1.7787 |
| logSw: | -2.5561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.746 |
| InChI Key: | ZQKVJVWSUWDGMC-UHFFFAOYSA-N |