AC1NT84N

4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]benzoic acid

Also Known As: 4-({3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]acryloyl}amino)benzoic acid|SR-01000448615-1|4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]benzoic acid|4-[(2E)-3-(2H-1,3-BENZODIOXOL-5-YL)-2-[(5-BROMOFURAN-2-YL)FORMAMIDO]PROP-2-ENAMIDO]BENZOIC ACID|4-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)-2-(5-bromofuran-2-carboxamido)prop-2-enamido]benzoic acid|4-[[3-benzo[1,3]dioxol-5-yl-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]benzoic Acid

Molecular Formula	C22H15BrN2O7
Molecular Weight	498.00626 g/mol
LogP	3.8786
Topological Polar Surface Area	127.1 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	498.00626
Monoisotopic Mass	498.00626
Heavy Atoms	32
Complexity	1231.3313

Chemical Identifiers

CAS Number	6138-76-7
SMILES	C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)O)/NC(=O)C4=CC=C(O4)Br