N-(4-chloro-2-methylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(4-chloro-2-methylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0428 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 481.01 |
| Molecular Formula: | C22 H29 Cl N4 O4 S |
| Smiles: | Cc1cc(ccc1NC(CCNS(c1c(C(N2CCCCC2)=O)c(C)[nH]c1C)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9109 |
| logD: | 2.9094 |
| logSw: | -3.8983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.726 |
| InChI Key: | NMTKJRBRICBIFX-UHFFFAOYSA-N |