2-{[(2Z,5E)-2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-4-bromo-6-methoxyphenyl acetate

2-{[(2Z,5E)-2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-4-bromo-6-methoxyphenyl acetate

Formula: C15H13BrN2O5S

SMILES: COC1=CC(Br)=CC(C=C2SC(NC2=O)=N/C(C)=O)=C1OC(C)=O

IUPAC: 2-{[(2Z,5E)-2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-4-bromo-6-methoxyphenyl acetate

InChI: InChI=1S/C15H13BrN2O5S/c1-7(19)17-15-18-14(21)12(24-15)5-9-4-10(16)6-11(22-3)13(9)23-8(2)20/h4-6H,1-3H3,(H,17,18,19,21)/b12-5+

Composition: C (43.60%), H (3.17%), Br (19.34%), N (6.78%), O (19.36%), S (7.76%)

Molar Mass: 413.24

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	411.972856
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QZCUQZOQKYFDEW-LFYBBSHMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.86
Topological Polar Surface Area	94.06
Polarizability	35.46
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H13BrN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00