Название: 3-[5-Cyclopropyl-3-(2,6-difluoro-pyridin-4-ylmethyl)-2,6-dioxo-1,2,3,6tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile
SMILES:
Cc1cc(C#N)cc(C(=O)c2c(C3CC3)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1Molecular Processing
Molecular formula
C22H16F2N4O3
Molecular weight
422.39
Exact mass
422.119
XLogP
2.55
TPSA
108.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
105.88
Supplementary Information
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