4-(difluoromethyl)-2-(ethanesulfonyl)-6-(3-methoxyphenyl)pyrimidine

4-(difluoromethyl)-2-(ethanesulfonyl)-6-(3-methoxyphenyl)pyrimidine

CAS: 862663-49-8

Formula: C14H14F2N2O3S

SMILES: CCS(=O)(=O)C1=NC(=CC(=N1)C(F)F)C1=CC(OC)=CC=C1

IUPAC: 4-(difluoromethyl)-2-(ethanesulfonyl)-6-(3-methoxyphenyl)pyrimidine

InChI: InChI=1S/C14H14F2N2O3S/c1-3-22(19,20)14-17-11(8-12(18-14)13(15)16)9-5-4-6-10(7-9)21-2/h4-8,13H,3H2,1-2H3

Composition: C (51.21%), H (4.30%), F (11.57%), N (8.53%), O (14.62%), S (9.76%)

Molar Mass: 328.33

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	328.069319819
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	KWGJIDVFOOKQHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.3
Topological Polar Surface Area	69.15
Polarizability	31.16
Ring Count	2
Rotatable Bond Count	5

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