이름: Methyl 1-(3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-carboxamido)-3-methylpyridin-2-yl)phenyl)cyclopropanecarboxylate
SMILES:
COC(=O)C1(c2cccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3C)c2)CC1Molecular Processing
Molecular formula
C28H24F2N2O5
Molecular weight
506.51
Exact mass
506.1653
XLogP
5.25
TPSA
86.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
129.52
Supplementary Information
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