4-(4-bromo-2-{[(5E)-3-{[(3,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(4-bromo-2-{[(5E)-3-{[(3,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C28H23BrN2O6S

SMILES: CC1=CC=C(NC(=O)CN2C(=O)SC(=CC3=CC(Br)=CC=C3OCC3=CC=C(C=C3)C(O)=O)C2=O)C=C1C

IUPAC: 4-[(4-bromo-2-{[(5E)-3-{[(3,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C28H23BrN2O6S/c1-16-3-9-22(11-17(16)2)30-25(32)14-31-26(33)24(38-28(31)36)13-20-12-21(29)8-10-23(20)37-15-18-4-6-19(7-5-18)27(34)35/h3-13H,14-15H2,1-2H3,(H,30,32)(H,34,35)/b24-13+

Composition: C (56.48%), H (3.89%), Br (13.42%), N (4.70%), O (16.12%), S (5.38%)

Molar Mass: 595.46

Atom Count: 61

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	594.046021
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NITOUKRCALYCGL-ZMOGYAJESA-N
Lipinski's Rule of Five
Molar Refractivity	151.52
Topological Polar Surface Area	113.01
Polarizability	56.37
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H23BrN2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00