N-(2,4-difluorophenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(2,4-difluorophenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0437 |
| Compound Name: | N-(2,4-difluorophenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 468.52 |
| Molecular Formula: | C21 H26 F2 N4 O4 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccc(cc1F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9661 |
| logD: | 1.905 |
| logSw: | -2.8815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.726 |
| InChI Key: | CZGAPJCEGAJLLS-UHFFFAOYSA-N |