Name: 7-(2-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-4-[2-methyl-7-(methyloxy)quinazolin-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILES:
COc1ccc2c(N3CCOc4ccc(-c5cnc6[nH]c(C)nc6c5)cc4C3)nc(C)nc2c1Molecular Processing
Molecular formula
C26H24N6O2
Molecular weight
452.52
Exact mass
452.1961
XLogP
4.59
TPSA
89.05
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
131.43
Supplementary Information
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