4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(ethanesulfonyl)pyrimidine

4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(ethanesulfonyl)pyrimidine

CAS: 863187-94-4

Formula: C15H16F2N2O4S

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

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

InChI: InChI=1S/C15H16F2N2O4S/c1-4-24(20,21)15-18-10(8-11(19-15)14(16)17)9-5-6-12(22-2)13(7-9)23-3/h5-8,14H,4H2,1-3H3

Composition: C (50.27%), H (4.50%), F (10.60%), N (7.82%), O (17.86%), S (8.95%)

Molar Mass: 358.36

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	358.079884503
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	VUSKUPBFBOLDLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.76
Topological Polar Surface Area	78.38
Polarizability	33.72
Ring Count	2
Rotatable Bond Count	6

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