AC1MJPB8

4-[3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid

Also Known As: Oprea1_440154|Oprea1_578387|BAS 00702609|AG-205/36713019|SR-01000428747-1|A1472/0064955|4-(3-((2-((3-fluorophenyl)amino)-2-oxoethyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoic acid|4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid|4-[3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid|4-[3-({[(3-FLUOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-2,5-DIOXOPYRROLIDIN-1-YL]BENZOIC ACID|4-[3-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

Molecular Formula	C19H15FN2O5S
Molecular Weight	402.06857 g/mol
LogP	2.5277
Topological Polar Surface Area	103.78 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	402.06857
Monoisotopic Mass	402.06857
Heavy Atoms	28
Complexity	947.5951

Chemical Identifiers

CAS Number	313378-87-9
SMILES	C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SCC(=O)NC3=CC(=CC=C3)F