(2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

(2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Formula: C14H10BrN3OS

SMILES: BrC1=CSC(C=C(/C#N)C(=O)NCC2=CC=CN=C2)=C1

IUPAC: (2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide

InChI: InChI=1S/C14H10BrN3OS/c15-12-5-13(20-9-12)4-11(6-16)14(19)18-8-10-2-1-3-17-7-10/h1-5,7,9H,8H2,(H,18,19)/b11-4+

Composition: C (48.29%), H (2.89%), Br (22.95%), N (12.07%), O (4.59%), S (9.21%)

Molar Mass: 348.22

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	346.972796
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PGTHPHFOIQKLFN-NYYWCZLTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.8
Topological Polar Surface Area	65.78
Polarizability	30.56
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H10BrN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00