Name: tert-butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyridin-1(2H)-yl)-5,8,9,10-tetrahydropyrido[3′,2′:4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate
SMILES:
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCN(C(=O)OC(C)(C)C)CC2Molecular Processing
Molecular formula
C28H28F3N5O3
Molecular weight
539.56
Exact mass
539.2144
XLogP
5.14
TPSA
82.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
139.76
Supplementary Information
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