N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methylphenyl)-beta-alaninamide
N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0613 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | Cc1cccc(c1)NC(CCNS(c1c(C(N2CCCCC2)=O)c(C)[nH]c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4102 |
| logD: | 2.409 |
| logSw: | -2.9385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.424 |
| InChI Key: | JLDGJKTXERVSMD-UHFFFAOYSA-N |