2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

Formula: C17H9F6N5OS

SMILES: NC1=C(C=C(C#N)C(SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=N1)C#N

IUPAC: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C17H9F6N5OS/c18-16(19,20)10-2-11(17(21,22)23)4-12(3-10)27-13(29)7-30-15-9(6-25)1-8(5-24)14(26)28-15/h1-4H,7H2,(H2,26,28)(H,27,29)

Composition: C (45.85%), H (2.04%), F (25.60%), N (15.73%), O (3.59%), S (7.20%)

Molar Mass: 445.34

Atom Count: 39

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.043200082
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LZHUOLZZDUZCBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.89
Topological Polar Surface Area	115.59
Polarizability	34.42
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H9F6N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00