N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-methylphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-methylphenyl)methyl]-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-methylphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0069 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-methylphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2c(C(N3CCCC3)=O)c(C)[nH]c2C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8866 |
| logD: | 1.8857 |
| logSw: | -2.6993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.112 |
| InChI Key: | VXFFYJHXAJLRCM-UHFFFAOYSA-N |