2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N,N-dibenzylacetamide

2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N,N-dibenzylacetamide

Formula: C21H19N5OS

SMILES: NC1=NC(SCC(=O)N(CC2=CC=CC=C2)CC2=CC=CC=C2)=NC=C1C#N

IUPAC: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N,N-dibenzylacetamide

InChI: InChI=1S/C21H19N5OS/c22-11-18-12-24-21(25-20(18)23)28-15-19(27)26(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,12H,13-15H2,(H2,23,24,25)

Composition: C (64.76%), H (4.92%), N (17.98%), O (4.11%), S (8.23%)

Molar Mass: 389.48

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	389.131031426
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	NKMMWMNWXPEHRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.24
Topological Polar Surface Area	95.9
Polarizability	42.35
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00