Name: 8-bromo-2-(difluoro(5-fluoropyridin-2-yl)methyl)-4-(methylthio)quinazoline
SMILES:
CSc1nc(C(F)(F)c2ccc(F)cn2)nc2c(Br)cccc12Molecular Processing
Molecular formula
C15H9BrF3N3S
Molecular weight
400.22
Exact mass
398.9653
XLogP
4.79
TPSA
38.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
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
0.133
Molar refractivity
86.21
Supplementary Information
Details werden geladen…
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