CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)S(=O)(=O)C)C4=C(C=CC=C4F)F
CAS: 444605-93-0
الاسم: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILES: CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)S(=O)(=O)C)C4=C(C=CC=C4F)F

Molecular Processing

Molecular formula
C21H14F3N3O3S
Molecular weight
445.42
Exact mass
445.0708
XLogP
3.58
TPSA
81.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
108.29

Supplementary Information

InChIKey: ZHEWRDXHPKUBGH-UHFFFAOYSA-N
مرادفات
SCHEMBL1059157ZHEWRDXHPKUBGH-UHFFFAOYSA-N444605-93-08-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methane-sulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one8-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methanesulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8h)-one
عرض المصدر →
مشارك في 150 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→