N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
Compound ID: | F535-0425 |
Compound Name: | N-[(2-chlorophenyl)methyl]-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: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1ccccc1[Cl])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5325 |
logD: | 2.5316 |
logSw: | -3.4617 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 93.746 |
InChI Key: | FEGYYUOXMJQIJG-UHFFFAOYSA-N |