2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(3-bromo-4-chlorophenyl)acetamide

2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(3-bromo-4-chlorophenyl)acetamide

Formula: C13H9BrClN5OS

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

IUPAC: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(3-bromo-4-chlorophenyl)acetamide

InChI: InChI=1S/C13H9BrClN5OS/c14-9-3-8(1-2-10(9)15)19-11(21)6-22-13-18-5-7(4-16)12(17)20-13/h1-3,5H,6H2,(H,19,21)(H2,17,18,20)

Composition: C (39.17%), H (2.28%), Br (20.04%), Cl (8.89%), N (17.57%), O (4.01%), S (8.04%)

Molar Mass: 398.66

Atom Count: 31

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	396.939972
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FXHYQQCNHVZXRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.1
Topological Polar Surface Area	104.69
Polarizability	33.91
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9BrClN5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00