4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(methylsulfanyl)methyl]pyrimidin-4-yl)morpholine

4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(methylsulfanyl)methyl]pyrimidin-4-yl)morpholine

CAS: 341965-63-7

Formula: C17H19Cl2N3OS2

SMILES: CSCC1=NC(SCC2=CC(Cl)=C(Cl)C=C2)=NC(=C1)N1CCOCC1

IUPAC: 4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(methylsulfanyl)methyl]pyrimidin-4-yl)morpholine

InChI: InChI=1S/C17H19Cl2N3OS2/c1-24-11-13-9-16(22-4-6-23-7-5-22)21-17(20-13)25-10-12-2-3-14(18)15(19)8-12/h2-3,8-9H,4-7,10-11H2,1H3

Composition: C (49.04%), H (4.60%), Cl (17.03%), N (10.09%), O (3.84%), S (15.40%)

Molar Mass: 416.38

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	415.03466
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WTRXEPZLZIHAFM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.59
Topological Polar Surface Area	38.25
Polarizability	42.05
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	341965-63-7		$51.35-$86.31$51.35$63.37$86.31