4-{2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl}morpholine

4-{2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl}morpholine

CAS: 303147-15-1

Formula: C21H21N3OS

SMILES: C(SC1=CC=CC=C1)C1=NC(=NC(=C1)N1CCOCC1)C1=CC=CC=C1

IUPAC: 4-{2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl}morpholine

InChI: InChI=1S/C21H21N3OS/c1-3-7-17(8-4-1)21-22-18(16-26-19-9-5-2-6-10-19)15-20(23-21)24-11-13-25-14-12-24/h1-10,15H,11-14,16H2

Composition: C (69.39%), H (5.82%), N (11.56%), O (4.40%), S (8.82%)

Molar Mass: 363.48

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	363.140533482
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BWWCYYOKRUAPJB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.95
Topological Polar Surface Area	38.25
Polarizability	41.78
Ring Count	4
Rotatable Bond Count	5

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