4-[6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine

4-[6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine

CAS: 866038-76-8

Formula: C24H26ClN3OS

SMILES: CC1CN(CC(C)O1)C1=CC(CSCC2=CC=C(Cl)C=C2)=NC(=N1)C1=CC=CC=C1

IUPAC: 4-[6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine

InChI: InChI=1/C24H26ClN3OS/c1-17-13-28(14-18(2)29-17)23-12-22(16-30-15-19-8-10-21(25)11-9-19)26-24(27-23)20-6-4-3-5-7-20/h3-12,17-18H,13-16H2,1-2H3

Composition: C (65.51%), H (5.96%), Cl (8.06%), N (9.55%), O (3.64%), S (7.29%)

Molar Mass: 440

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	439.1485113
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PSPHUECQDMWRKR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.33
Topological Polar Surface Area	38.25
Polarizability	49.17
Ring Count	4
Rotatable Bond Count	6

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90%	<2 Days	866038-76-8		$51.35-$86.31$51.35$63.37$86.31