N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(6-methylpyridin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(6-methylpyridin-2-yl)-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(6-methylpyridin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0022 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(6-methylpyridin-2-yl)-beta-alaninamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C20 H27 N5 O4 S |
| Smiles: | Cc1cccc(NC(CCNS(c2c(C(N3CCCC3)=O)c(C)[nH]c2C)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4541 |
| logD: | 1.453 |
| logSw: | -2.2891 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.779 |
| InChI Key: | UYNPFIDMOBERCJ-UHFFFAOYSA-N |