N-(3-cyanophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(3-cyanophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0141 |
| Compound Name: | N-(3-cyanophenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1cccc(C#N)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6239 |
| logD: | 1.6227 |
| logSw: | -2.5534 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.846 |
| InChI Key: | AOXMOOBCTMOXRT-UHFFFAOYSA-N |