AC1MDFBY
4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid
Also Known As: CBDivE_007712|BAS 00345518|AB00076141-01|AB00076141-07|AG-690/09449059|4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid|4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidin-1-yl]benzoate|4-(2,5-dioxo-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidin-1-yl)benzoic acid|4-(2,5-Dioxo-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1-pyrrolidinyl)benzoic acid|4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazinyl}azolidinyl)benzoic ac id|4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid|4-{2,5-Dioxo-3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-pyrrolidin-1-yl}-benzoic acid
| Molecular Formula | C22H20F3N3O4 |
|---|---|
| Molecular Weight | 447.1406 g/mol |
| LogP | 2.8577 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.1406 |
| Monoisotopic Mass | 447.1406 |
| Heavy Atoms | 32 |
| Complexity | 1047.1317 |
Chemical Identifiers
| CAS Number | 313705-20-3 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
AC1MDFBY (CAS 313705-20-3), with molecular formula C22H20F3N3O4 and molecular weight 447.1406 g/mol. IUPAC: 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid.