N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0032 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C21 H27 Cl N4 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2452 |
| logD: | 2.2444 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.112 |
| InChI Key: | XSSOARMUIYMMEK-UHFFFAOYSA-N |