2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

Formula: C17H17N5OS

SMILES: NC1=NC(SCC(=O)NC2=CC=CC3=C2CCCC3)=NC=C1C#N

IUPAC: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

InChI: InChI=1S/C17H17N5OS/c18-8-12-9-20-17(22-16(12)19)24-10-15(23)21-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,9H,1-2,4,6,10H2,(H,21,23)(H2,19,20,22)

Composition: C (60.16%), H (5.05%), N (20.63%), O (4.71%), S (9.45%)

Molar Mass: 339.42

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	339.115381361
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KEQVYPIPXLZBKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.15
Topological Polar Surface Area	104.69
Polarizability	35.55
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00