4-{[(2E,5Z)-5-({3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

4-{[(2E,5Z)-5-({3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

Formula: C27H22BrN3O7S

SMILES: CCOC1=CC(C=C2/SC(=NC3=CC=C(C=C3)C(O)=O)N(C)C2=O)=CC(Br)=C1OCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-{[(2E,5Z)-5-({3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

InChI: InChI=1S/C27H22BrN3O7S/c1-3-37-22-13-17(12-21(28)24(22)38-15-16-4-10-20(11-5-16)31(35)36)14-23-25(32)30(2)27(39-23)29-19-8-6-18(7-9-19)26(33)34/h4-14H,3,15H2,1-2H3,(H,33,34)/b23-14-,29-27+

Composition: C (52.95%), H (3.62%), Br (13.05%), N (6.86%), O (18.29%), S (5.23%)

Molar Mass: 612.45

Atom Count: 61

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	611.036184
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	QCIUSSHSNAFRTO-SLOBHAQXSA-N
Lipinski's Rule of Five
Molar Refractivity	153.35
Topological Polar Surface Area	131.57
Polarizability	56.71
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22BrN3O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00