COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCSC
الاسم: 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline
SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCSC

Molecular Processing

Molecular formula
C19H19BrFN3O2S
Molecular weight
452.35
Exact mass
451.0365
XLogP
5.42
TPSA
56.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
111.97

Supplementary Information

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