(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula: C18H12BrFN2O5

SMILES: COC1=CC(Br)=CC(C=C2/C(=O)NC(=O)N(C2=O)C2=CC=C(F)C=C2)=C1O

IUPAC: (5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C18H12BrFN2O5/c1-27-14-8-10(19)6-9(15(14)23)7-13-16(24)21-18(26)22(17(13)25)12-4-2-11(20)3-5-12/h2-8,23H,1H3,(H,21,24,26)/b13-7+

Composition: C (49.68%), H (2.78%), Br (18.36%), F (4.37%), N (6.44%), O (18.38%)

Molar Mass: 435.205

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	433.991363
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YRICNHJAXASDSJ-NTUHNPAUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.08
Topological Polar Surface Area	95.94
Polarizability	36.49
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H12BrFN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00