N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0140 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(4-fluorophenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C21 H27 F N4 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4922 |
| logD: | 1.4914 |
| logSw: | -2.4507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.112 |
| InChI Key: | DXMUVHJPVAXFEZ-UHFFFAOYSA-N |