N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-fluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-fluorophenyl)-beta-alaninamide
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-fluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0451 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-fluorophenyl)-beta-alaninamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C21 H27 F N4 O4 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2036 |
| logD: | 2.2025 |
| logSw: | -2.9389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.424 |
| InChI Key: | CDUKPOBZHBRWSB-UHFFFAOYSA-N |