이름: 2-carbobenzoxyaminomethyl-3-amino-4-hydroxy-4-(2-chlorophenyl)-6-chloro-3,4-dihydroquinazoline
SMILES:
NN1C(CNC(=O)OCc2ccccc2)=Nc2ccc(Cl)cc2C1(O)c1ccccc1ClMolecular Processing
Molecular formula
C23H20Cl2N4O3
Molecular weight
471.34
Exact mass
470.0912
XLogP
4.33
TPSA
100.18
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
123.65
Supplementary Information
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