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

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

CAS: 339017-82-2

Formula: C16H17Cl2N3OS

SMILES: CC1=NC(SCC2=C(Cl)C=C(Cl)C=C2)=NC(=C1)N1CCOCC1

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

InChI: InChI=1S/C16H17Cl2N3OS/c1-11-8-15(21-4-6-22-7-5-21)20-16(19-11)23-10-12-2-3-13(17)9-14(12)18/h2-3,8-9H,4-7,10H2,1H3

Composition: C (51.90%), H (4.63%), Cl (19.15%), N (11.35%), O (4.32%), S (8.66%)

Molar Mass: 370.29

Atom Count: 40

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	369.0469388
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AGCSFEMNYLPWSY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.11
Topological Polar Surface Area	38.25
Polarizability	37.05
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	339017-82-2		$51.35-$86.31$51.35$63.37$86.31