12-(5-bromofuran-2-carbonyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0²,?]trideca-2(7),3,5-triene-11-thione

12-(5-bromofuran-2-carbonyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0²,?]trideca-2(7),3,5-triene-11-thione

Formula: C22H16BrFN2O3S

SMILES: CC12CC(N(C(=O)C3=CC=C(Br)O3)C(=S)N1C1=CC=C(F)C=C1)C1=C(O2)C=CC=C1

IUPAC: 12-(5-bromofuran-2-carbonyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0²,?]trideca-2(7),3,5-triene-11-thione

InChI: InChI=1/C22H16BrFN2O3S/c1-22-12-16(15-4-2-3-5-17(15)29-22)25(20(27)18-10-11-19(23)28-18)21(30)26(22)14-8-6-13(24)7-9-14/h2-11,16H,12H2,1H3

Composition: C (54.22%), H (3.31%), Br (16.40%), F (3.90%), N (5.75%), O (9.85%), S (6.58%)

Molar Mass: 487.34

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	486.004905
Formal Charge	0
FSP3	0.18
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OIJKFHCUAZMEHE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.87
Topological Polar Surface Area	45.92
Polarizability	44.77
Ring Count	5
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16BrFN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00