2-{[4-(3,4-dimethylphenyl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

2-{[4-(3,4-dimethylphenyl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

Formula: C21H21N3O2S

SMILES: COC1=CC=CC=C1NC(=O)CSC1=NC=CC(=N1)C1=CC=C(C)C(C)=C1

IUPAC: 2-{[4-(3,4-dimethylphenyl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

InChI: InChI=1S/C21H21N3O2S/c1-14-8-9-16(12-15(14)2)17-10-11-22-21(24-17)27-13-20(25)23-18-6-4-5-7-19(18)26-3/h4-12H,13H2,1-3H3,(H,23,25)

Composition: C (66.47%), H (5.58%), N (11.07%), O (8.43%), S (8.45%)

Molar Mass: 379.48

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	379.135448102
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JTUGITSFCDTKBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.25
Topological Polar Surface Area	64.11
Polarizability	43.1
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00