(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula: C21H11BrClFN2O4S

SMILES: FC1=CC(=CC=C1)N1C(=O)NC(=O)C(=CC2=CC(Br)=C(O2)SC2=CC=C(Cl)C=C2)C1=O

IUPAC: (5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C21H11BrClFN2O4S/c22-17-10-14(30-20(17)31-15-6-4-11(23)5-7-15)9-16-18(27)25-21(29)26(19(16)28)13-3-1-2-12(24)8-13/h1-10H,(H,25,27,29)/b16-9-

Composition: C (48.34%), H (2.13%), Br (15.31%), Cl (6.79%), F (3.64%), N (5.37%), O (12.27%), S (6.14%)

Molar Mass: 521.74

Atom Count: 42

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	519.929547
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OVQLTVXMZIFBLT-SXGWCWSVSA-N
Lipinski's Rule of Five
Molar Refractivity	117.77
Topological Polar Surface Area	79.62
Polarizability	44.72
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H11BrClFN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00