N-(3,4-dimethoxyphenyl)-2-{[2-methyl-6-(pyridin-2-yl)pyrimidin-4-yl]sulfanyl}acetamide

N-(3,4-dimethoxyphenyl)-2-{[2-methyl-6-(pyridin-2-yl)pyrimidin-4-yl]sulfanyl}acetamide

Formula: C20H20N4O3S

SMILES: COC1=CC=C(NC(=O)CSC2=NC(C)=NC(=C2)C2=CC=CC=N2)C=C1OC

IUPAC: N-(3,4-dimethoxyphenyl)-2-{[2-methyl-6-(pyridin-2-yl)pyrimidin-4-yl]sulfanyl}acetamide

InChI: InChI=1S/C20H20N4O3S/c1-13-22-16(15-6-4-5-9-21-15)11-20(23-13)28-12-19(25)24-14-7-8-17(26-2)18(10-14)27-3/h4-11H,12H2,1-3H3,(H,24,25)

Composition: C (60.59%), H (5.08%), N (14.13%), O (12.11%), S (8.09%)

Molar Mass: 396.47

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.125611694
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	VVEKYCKLGPEIOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.09
Topological Polar Surface Area	86.23
Polarizability	42.93
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00