(2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-yl}prop-2-enenitrile

(2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-yl}prop-2-enenitrile

Formula: C21H14BrN3OS

SMILES: CC1=CC=C(SC2=C(Br)C=C(O2)C=C(C#N)C2=NC3=CC=CC=C3N2)C=C1

IUPAC: (2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-bromo-5-[(4-methylphenyl)sulfanyl]furan-2-yl}prop-2-enenitrile

InChI: InChI=1S/C21H14BrN3OS/c1-13-6-8-16(9-7-13)27-21-17(22)11-15(26-21)10-14(12-23)20-24-18-4-2-3-5-19(18)25-20/h2-11H,1H3,(H,24,25)/b14-10-

Composition: C (57.81%), H (3.23%), Br (18.31%), N (9.63%), O (3.67%), S (7.35%)

Molar Mass: 436.33

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	435.004096
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XNZIRWLQLAKHNR-UVTDQMKNSA-N
Lipinski's Rule of Five
Molar Refractivity	111.87
Topological Polar Surface Area	65.61
Polarizability	43.31
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14BrN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00