2-({6-amino-4-[4-(benzyloxy)phenyl]-3,5-dicyanopyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide

2-({6-amino-4-[4-(benzyloxy)phenyl]-3,5-dicyanopyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide

Formula: C28H20BrN5O2S

SMILES: NC1=NC(SCC(=O)NC2=CC=C(Br)C=C2)=C(C#N)C(C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1C#N

IUPAC: 2-({6-amino-4-[4-(benzyloxy)phenyl]-3,5-dicyanopyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide

InChI: InChI=1S/C28H20BrN5O2S/c29-20-8-10-21(11-9-20)33-25(35)17-37-28-24(15-31)26(23(14-30)27(32)34-28)19-6-12-22(13-7-19)36-16-18-4-2-1-3-5-18/h1-13H,16-17H2,(H2,32,34)(H,33,35)

Composition: C (58.95%), H (3.53%), Br (14.01%), N (12.28%), O (5.61%), S (5.62%)

Molar Mass: 570.47

Atom Count: 57

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	569.052109
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PSRLELQWFWOOED-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.77
Topological Polar Surface Area	124.82
Polarizability	57.51
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H20BrN5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00