N-(3-chloro-4-fluorophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(3-chloro-4-fluorophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0160 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 470.95 |
| Molecular Formula: | C20 H24 Cl F N4 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4931 |
| logD: | 2.4327 |
| logSw: | -3.6553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.79 |
| InChI Key: | WJAUQLHGYDKZHP-UHFFFAOYSA-N |