4-[(2,3-dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine

4-[(2,3-dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine

CAS: 339279-05-9

Formula: C18H14Cl2N2OS

SMILES: COCC1=CC(SC2=CC=CC(Cl)=C2Cl)=NC(=N1)C1=CC=CC=C1

IUPAC: 4-[(2,3-dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine

InChI: InChI=1S/C18H14Cl2N2OS/c1-23-11-13-10-16(24-15-9-5-8-14(19)17(15)20)22-18(21-13)12-6-3-2-4-7-12/h2-10H,11H2,1H3

Composition: C (57.30%), H (3.74%), Cl (18.79%), N (7.43%), O (4.24%), S (8.50%)

Molar Mass: 377.28

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	376.0203897
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IKXBFHINRUWLOE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.79
Topological Polar Surface Area	35.01
Polarizability	39.6
Ring Count	3
Rotatable Bond Count	5

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