이름: 2-amino-7-(4-fluoro-2-pyridin-3-yl-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one oxime
SMILES:
Cc1nc(N)nc2c1C(=NO)CC(c1ccc(F)cc1-c1cccnc1)C2Molecular Processing
Molecular formula
C20H18FN5O
Molecular weight
363.4
Exact mass
363.1495
XLogP
3.48
TPSA
97.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
100.2
Supplementary Information
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