4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(ethylsulfonyl)pyrimidine - CAS 863187-94-4
Catalog: |
BB042663 |
Product Name: |
4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(ethylsulfonyl)pyrimidine |
CAS: |
863187-94-4 |
Synonyms: |
CTK7A7275; ZINC2554172; BBL040215 |
IUPAC Name: | 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-ethylsulfonylpyrimidine |
Description: | 4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(ethylsulfonyl)pyrimidine (CAS# 863187-94-4 ) is a useful research chemical. |
Molecular Weight: | 358.40 |
Molecular Formula: | C15H16F2N2O4S |
Canonical SMILES: | CCS(=O)(=O)C1=NC(=CC(=N1)C(F)F)C2=CC(=C(C=C2)OC)OC |
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 |
InChI Key: | VUSKUPBFBOLDLM-UHFFFAOYSA-N |
Complexity: | 500 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 358.07988449 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 358.07988449 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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