2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

Formula: C22H23N3O2S2

SMILES: CSC1=CC=C(CNC(=O)CSC2=NC=NC(OC3=CC(C)=CC(C)=C3)=C2)C=C1

IUPAC: 2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

InChI: InChI=1S/C22H23N3O2S2/c1-15-8-16(2)10-18(9-15)27-21-11-22(25-14-24-21)29-13-20(26)23-12-17-4-6-19(28-3)7-5-17/h4-11,14H,12-13H2,1-3H3,(H,23,26)

Composition: C (62.09%), H (5.45%), N (9.87%), O (7.52%), S (15.07%)

Molar Mass: 425.57

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	425.123169341
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HORAIJIAENEUMN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.75
Topological Polar Surface Area	64.11
Polarizability	46.67
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00