N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methoxyphenyl)-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0025 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-methoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1cccc(c1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8294 |
| logD: | 1.8282 |
| logSw: | -2.6677 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.334 |
| InChI Key: | KNENIEJWIBVEKB-UHFFFAOYSA-N |