N-(3-acetylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(3-acetylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0516 |
| Compound Name: | N-(3-acetylphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Smiles: | CC(c1cccc(c1)NC(CCNS(c1c(C(N2CCCCC2)=O)c(C)[nH]c1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7911 |
| logD: | 1.79 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.251 |
| InChI Key: | RPZSWFJLRIYEHS-UHFFFAOYSA-N |