이름: 7-benzyloxy-4-(4-bromo-2,6-difluoroanilino)-6-methoxyquinazoline
SMILES:
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCc1ccccc1Molecular Processing
Molecular formula
C22H16BrF2N3O2
Molecular weight
472.29
Exact mass
471.0394
XLogP
6
TPSA
56.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
114.2
Supplementary Information
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