4-(4-chloro-2-methylphenoxy)-5-methanesulfonyl-2-phenylpyrimidine

4-(4-chloro-2-methylphenoxy)-5-methanesulfonyl-2-phenylpyrimidine

CAS: 478080-90-9

Formula: C18H15ClN2O3S

SMILES: CC1=C(OC2=NC(=NC=C2S(C)(=O)=O)C2=CC=CC=C2)C=CC(Cl)=C1

IUPAC: 4-(4-chloro-2-methylphenoxy)-5-methanesulfonyl-2-phenylpyrimidine

InChI: InChI=1S/C18H15ClN2O3S/c1-12-10-14(19)8-9-15(12)24-18-16(25(2,22)23)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3

Composition: C (57.68%), H (4.03%), Cl (9.46%), N (7.47%), O (12.80%), S (8.55%)

Molar Mass: 374.84

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	374.0491912
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OKKRLERKEQYBRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.54
Topological Polar Surface Area	69.15
Polarizability	38.77
Ring Count	3
Rotatable Bond Count	4

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